N-(3-acetylphenyl)-4-(azepane-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-4-(azepane-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxamide
N-(3-acetylphenyl)-4-(azepane-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | G636-2481 |
| Compound Name: | N-(3-acetylphenyl)-4-(azepane-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C20 H25 N3 O4 S |
| Smiles: | CC(c1cccc(c1)NC(c1cc(cn1C)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5446 |
| logD: | 2.5318 |
| logSw: | -2.8866 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.508 |
| InChI Key: | VTISRJHDBQDRGN-UHFFFAOYSA-N |