N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y203-8102 |
| Compound Name: | N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 358.41 |
| Molecular Formula: | C18 H18 N2 O4 S |
| Smiles: | C1CCc2c(C(N)=O)c(NC(c3ccc4c(c3)OCO4)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.4127 |
| logD: | 1.6731 |
| logSw: | -3.0529 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.55 |
| InChI Key: | KJZSUTVMFOBSLN-UHFFFAOYSA-N |