N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y503-0453 |
| Compound Name: | N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C17 H16 N2 O4 S |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(c1ccc3c(c1)OCO3)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 1.9167 |
| logD: | 1.1772 |
| logSw: | -2.7631 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.219 |
| InChI Key: | MBACYXWIPQUEBZ-UHFFFAOYSA-N |