ethyl 3-{[4-(azepane-1-sulfonyl)-1-methyl-1H-pyrrole-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[4-(azepane-1-sulfonyl)-1-methyl-1H-pyrrole-2-carbonyl]amino}benzoate
ethyl 3-{[4-(azepane-1-sulfonyl)-1-methyl-1H-pyrrole-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | G636-2409 |
| Compound Name: | ethyl 3-{[4-(azepane-1-sulfonyl)-1-methyl-1H-pyrrole-2-carbonyl]amino}benzoate |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C21 H27 N3 O5 S |
| Smiles: | CCOC(c1cccc(c1)NC(c1cc(cn1C)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5857 |
| logD: | 3.5847 |
| logSw: | -3.6576 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.435 |
| InChI Key: | ZLRLGDSZQFENTJ-UHFFFAOYSA-N |