N-[(4-methyl-5-{[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Chemical Structure Depiction of
N-[(4-methyl-5-{[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
N-[(4-methyl-5-{[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide
Compound characteristics
| Compound ID: | D583-1670 |
| Compound Name: | N-[(4-methyl-5-{[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-phenylmethanesulfonamide |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C20 H25 N5 O3 S2 |
| Smiles: | Cc1cc(C(CSc2nnc(CN(c3ccccc3)S(C)(=O)=O)n2C)=O)c(C)n1C |
| Stereo: | ACHIRAL |
| logP: | 1.4501 |
| logD: | 1.4501 |
| logSw: | -2.561 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.866 |
| InChI Key: | QMBBRHFNFTZAMX-UHFFFAOYSA-N |