methyl 3,5-dimethyl-4-{N-(4-methylbenzene-1-sulfonyl)-N-[(pyridin-3-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 3,5-dimethyl-4-{N-(4-methylbenzene-1-sulfonyl)-N-[(pyridin-3-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
methyl 3,5-dimethyl-4-{N-(4-methylbenzene-1-sulfonyl)-N-[(pyridin-3-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-8028 |
| Compound Name: | methyl 3,5-dimethyl-4-{N-(4-methylbenzene-1-sulfonyl)-N-[(pyridin-3-yl)methyl]glycyl}-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C23 H25 N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)S(N(CC(c1c(C)c(C(=O)OC)[nH]c1C)=O)Cc1cccnc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.871 |
| logD: | 2.871 |
| logSw: | -3.2347 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.262 |
| InChI Key: | DEDAMCMJCBEAJN-UHFFFAOYSA-N |