methyl 4-{N-(benzenesulfonyl)-N-[(pyridin-2-yl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{N-(benzenesulfonyl)-N-[(pyridin-2-yl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-{N-(benzenesulfonyl)-N-[(pyridin-2-yl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V013-9065 |
| Compound Name: | methyl 4-{N-(benzenesulfonyl)-N-[(pyridin-2-yl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(CN(Cc2ccccn2)S(c2ccccc2)(=O)=O)=O)c(C)[nH]c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.4214 |
| logD: | 2.4211 |
| logSw: | -2.7469 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.288 |
| InChI Key: | BJVKLKUDMDRPQA-UHFFFAOYSA-N |