ethyl 3-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrrole-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrrole-2-carbonyl]amino}benzoate
ethyl 3-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrrole-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | F379-1623 |
| Compound Name: | ethyl 3-{[4-(azepane-1-sulfonyl)-3,5-dimethyl-1H-pyrrole-2-carbonyl]amino}benzoate |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C22 H29 N3 O5 S |
| Smiles: | CCOC(c1cccc(c1)NC(c1c(C)c(c(C)[nH]1)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0624 |
| logD: | 4.0618 |
| logSw: | -3.9346 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.107 |
| InChI Key: | ABJNGTWFENDWLH-UHFFFAOYSA-N |