N-(cyclopropylmethyl)-N-{2-oxo-2-[4-(phenoxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(cyclopropylmethyl)-N-{2-oxo-2-[4-(phenoxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide
N-(cyclopropylmethyl)-N-{2-oxo-2-[4-(phenoxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V011-5056 |
| Compound Name: | N-(cyclopropylmethyl)-N-{2-oxo-2-[4-(phenoxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 504.6 |
| Molecular Formula: | C28 H28 N2 O5 S |
| Smiles: | C1CN(C(COc2ccccc2)c2ccsc12)C(CN(CC1CC1)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6906 |
| logD: | 4.6906 |
| logSw: | -4.7569 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.653 |
| InChI Key: | XENIAIHFCQFIRI-QHCPKHFHSA-N |