ethyl 4-{N-(benzenesulfonyl)-N-[(pyridin-4-yl)methyl]glycyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{N-(benzenesulfonyl)-N-[(pyridin-4-yl)methyl]glycyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{N-(benzenesulfonyl)-N-[(pyridin-4-yl)methyl]glycyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V012-4528 |
| Compound Name: | ethyl 4-{N-(benzenesulfonyl)-N-[(pyridin-4-yl)methyl]glycyl}-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C25 H29 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCn1c(C)c(C(CN(Cc2ccncc2)S(c2ccccc2)(=O)=O)=O)c(C)c1C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 3.013 |
| logD: | 2.9979 |
| logSw: | -3.0574 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.494 |
| InChI Key: | CHZOZKDWHHKRNP-UHFFFAOYSA-N |