ethyl 4-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]amino}benzoate
ethyl 4-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | G242-0103 |
| Compound Name: | ethyl 4-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]amino}benzoate |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C20 H25 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NS(c1c(C(N2CCCC2)=O)c(C)[nH]c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.025 |
| logD: | 2.5161 |
| logSw: | -3.3316 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.444 |
| InChI Key: | ZXFQDQOFNJHKQQ-UHFFFAOYSA-N |