propan-2-yl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0443 |
| Compound Name: | propan-2-yl 2-[(2H-1,3-benzodioxole-5-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C21 H23 N O5 S |
| Smiles: | CC1CCc2c(C(=O)OC(C)C)c(NC(c3ccc4c(c3)OCO4)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0061 |
| logD: | 2.2823 |
| logSw: | -4.8442 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.593 |
| InChI Key: | CDVIOIUEUDWKNW-GFCCVEGCSA-N |