methyl 4-{[4-(azepane-1-carbonyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[4-(azepane-1-carbonyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonyl]amino}benzoate
methyl 4-{[4-(azepane-1-carbonyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | G243-1833 |
| Compound Name: | methyl 4-{[4-(azepane-1-carbonyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonyl]amino}benzoate |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C22 H29 N3 O5 S |
| Smiles: | Cc1c(C(N2CCCCCC2)=O)c(c(C)n1C)S(Nc1ccc(cc1)C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9653 |
| logD: | 2.4564 |
| logSw: | -3.4511 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.82 |
| InChI Key: | FPHCCSBJQGWXSK-UHFFFAOYSA-N |