N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(butan-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(butan-2-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(butan-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V012-3491 |
| Compound Name: | N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(butan-2-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 478.61 |
| Molecular Formula: | C27 H30 N2 O4 S |
| Smiles: | CCC(C)N(CC(N(Cc1ccccc1)Cc1c(C)ccs1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1146 |
| logD: | 5.1146 |
| logSw: | -5.0405 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.595 |
| InChI Key: | CVMSIXBIJCEMDH-FQEVSTJZSA-N |