methyl 4-{N-(benzenesulfonyl)-N-[(pyridin-4-yl)methyl]glycyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{N-(benzenesulfonyl)-N-[(pyridin-4-yl)methyl]glycyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
methyl 4-{N-(benzenesulfonyl)-N-[(pyridin-4-yl)methyl]glycyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V004-2680 |
| Compound Name: | methyl 4-{N-(benzenesulfonyl)-N-[(pyridin-4-yl)methyl]glycyl}-1,3,5-trimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C23 H25 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1c(C(CN(Cc2ccncc2)S(c2ccccc2)(=O)=O)=O)c(C)n(C)c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0451 |
| logD: | 2.03 |
| logSw: | -2.2681 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77 |
| InChI Key: | WXIQEKKLSZEIGA-UHFFFAOYSA-N |