methyl 3,5-dimethyl-4-{N-(4-methylbenzene-1-sulfonyl)-N-[2-(pyridin-2-yl)ethyl]glycyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 3,5-dimethyl-4-{N-(4-methylbenzene-1-sulfonyl)-N-[2-(pyridin-2-yl)ethyl]glycyl}-1H-pyrrole-2-carboxylate
methyl 3,5-dimethyl-4-{N-(4-methylbenzene-1-sulfonyl)-N-[2-(pyridin-2-yl)ethyl]glycyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-4198 |
| Compound Name: | methyl 3,5-dimethyl-4-{N-(4-methylbenzene-1-sulfonyl)-N-[2-(pyridin-2-yl)ethyl]glycyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C24 H27 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)S(N(CCc1ccccn1)CC(c1c(C)c(C(=O)OC)[nH]c1C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3969 |
| logD: | 3.3968 |
| logSw: | -3.9464 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.266 |
| InChI Key: | DIBZOJGGTQSOJL-UHFFFAOYSA-N |