ethyl 4-{N-(benzenesulfonyl)-N-[(pyridin-3-yl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{N-(benzenesulfonyl)-N-[(pyridin-3-yl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{N-(benzenesulfonyl)-N-[(pyridin-3-yl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V012-4539 |
| Compound Name: | ethyl 4-{N-(benzenesulfonyl)-N-[(pyridin-3-yl)methyl]glycyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C23 H25 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(c1c(C)c(C(CN(Cc2cccnc2)S(c2ccccc2)(=O)=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6212 |
| logD: | 2.6212 |
| logSw: | -2.6161 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.842 |
| InChI Key: | UVCXIESVKYUGQT-UHFFFAOYSA-N |