- InChI
- InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
- InChI Key
- QPGGEKPRGVJKQB-UHFFFAOYSA-N
- Formula
- C18H21N3O
- SMILES
-
CN(C)CCN1C(=O)c2ccccc2N(C)c2cc
ccc21 - Molecular Weight1
- 295.38
- CAS
- 4498-32-2
- Other Names
-
- 11H-Dibenzo[b,e][1,4]diazepin-11-one, 10-[2-(dimethylamino)ethyl]-5,10-dihydro-5-methyl-
- Dibenzepine
- HF 1927
- 11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-10-(2-(dimethylamino)ethyl)-5-methyl-
- 5H-Dibenzo(b,e)(1,4)diazepin-11(10H)-one, 10-(2-(dimethylamino)ethyl)-5-methyl-
- 5,10-Dihydro-10-(2-(dimethylamino)ethyl)-5-methyl-11H-dibenzo(b,e)(1,4)diazepin-11-one
- 10-(2-(Dimethylamino)ethyl)-5-methyl-5H-dibenzo(b,e)(1,4)diazepin-11(10H)-one
- 10-[2-(Dimethylamino)ethyl]-5,10-dihydro-5-methyl-11-H-dibenzo[b,e][1,4]diazepin-11-one
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| log10WS | -3.12 | Crippen Calculated Property | |
| logPoct/wat | 2.976 | Crippen Calculated Property | |
| McVol | 237.610 | ml/mol | McGowan Calculated Property |
| Inp | 2420.00 | NIST |
Similar Compounds
Find more compounds similar to Dibenzepin.
Sources
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