N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-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-{[4-(propan-2-yl)phenoxy]methyl}-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-{[4-(propan-2-yl)phenoxy]methyl}-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: | V020-7679 |
| Compound Name: | N-{2-oxo-2-[4-{[4-(propan-2-yl)phenoxy]methyl}-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: | 532.66 |
| Molecular Formula: | C30 H32 N2 O5 S |
| Smiles: | CC(C)c1ccc(cc1)OCC1c2ccsc2CCN1C(CN(CC=C)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6831 |
| logD: | 5.6831 |
| logSw: | -5.5523 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.38 |
| InChI Key: | DVEUWELOQYPONE-VWLOTQADSA-N |