ethyl 4-{[3,5-dimethyl-4-(4-methylpiperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[3,5-dimethyl-4-(4-methylpiperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]amino}benzoate
ethyl 4-{[3,5-dimethyl-4-(4-methylpiperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | F379-0886 |
| Compound Name: | ethyl 4-{[3,5-dimethyl-4-(4-methylpiperidine-1-sulfonyl)-1H-pyrrole-2-carbonyl]amino}benzoate |
| Molecular Weight: | 447.55 |
| Molecular Formula: | C22 H29 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(c1c(C)c(c(C)[nH]1)S(N1CCC(C)CC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8599 |
| logD: | 3.852 |
| logSw: | -3.8758 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.776 |
| InChI Key: | UOCUDTVHUAGSCQ-UHFFFAOYSA-N |