N-{2-oxo-2-[4-(phenoxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{2-oxo-2-[4-(phenoxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide
N-{2-oxo-2-[4-(phenoxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V013-4415 |
| Compound Name: | N-{2-oxo-2-[4-(phenoxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-N-(prop-2-en-1-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C27 H26 N2 O5 S |
| Smiles: | C=CCN(CC(N1CCc2c(ccs2)C1COc1ccccc1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3164 |
| logD: | 4.3164 |
| logSw: | -4.3899 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.38 |
| InChI Key: | IJLUQEVDDLMHID-QFIPXVFZSA-N |