N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | L470-0665 |
| Compound Name: | N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C19 H22 N2 O5 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc(CNC(c2ccc3c(c2)OCO3)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4714 |
| logD: | 3.4714 |
| logSw: | -3.746 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.828 |
| InChI Key: | KADBGNCQRQVPBU-UHFFFAOYSA-N |