Chemical Properties of 3'-benzoylindicine

3'-benzoylindicine

PDF Excel Molecule Calculator
InChI
InChI=1S/C22H29NO6/c1-14(2)22(27,15(3)29-20(25)16-7-5-4-6-8-16)21(26)28-13-17-9-11-23-12-10-18(24)19(17)23/h4-9,14-15,18-19,24,27H,10-13H2,1-3H3/t15-,18+,19+,22+/m1/s1
InChI Key
QRFQYTMJHJMQOP-KRDZULTMSA-N
Formula
C22H29NO6
SMILES
CC(C)C(O)(C(=O)OCC1=CCN2CCC(O)C12)C(C)OC(=O)c1ccccc1
Molecular Weight1
403.47
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Physical Properties

Property Value Unit Source
log10WS -3.38 Crippen Calculated Property
logPoct/wat 1.537 Crippen Calculated Property
McVol 307.660 ml/mol McGowan Calculated Property
Inp 2727.00 NIST

Similar Compounds

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Sources

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