ethyl 3-{[4-(azepane-1-carbonyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[4-(azepane-1-carbonyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonyl]amino}benzoate
ethyl 3-{[4-(azepane-1-carbonyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | G243-1664 |
| Compound Name: | ethyl 3-{[4-(azepane-1-carbonyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonyl]amino}benzoate |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C23 H31 N3 O5 S |
| Smiles: | CCOC(c1cccc(c1)NS(c1c(C(N2CCCCCC2)=O)c(C)n(C)c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6235 |
| logD: | 3.5551 |
| logSw: | -3.9601 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.4 |
| InChI Key: | DPPSLHPYSJUJBQ-UHFFFAOYSA-N |