ethyl 1,3,5-trimethyl-4-{N-(4-methylbenzene-1-sulfonyl)-N-[(pyridin-3-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 1,3,5-trimethyl-4-{N-(4-methylbenzene-1-sulfonyl)-N-[(pyridin-3-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
ethyl 1,3,5-trimethyl-4-{N-(4-methylbenzene-1-sulfonyl)-N-[(pyridin-3-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V010-4531 |
| Compound Name: | ethyl 1,3,5-trimethyl-4-{N-(4-methylbenzene-1-sulfonyl)-N-[(pyridin-3-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C25 H29 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCOC(c1c(C)c(C(CN(Cc2cccnc2)S(c2ccc(C)cc2)(=O)=O)=O)c(C)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0469 |
| logD: | 3.0469 |
| logSw: | -2.9993 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.669 |
| InChI Key: | STXMNQFFMDYPJM-UHFFFAOYSA-N |