N-[(4-methyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Chemical Structure Depiction of
N-[(4-methyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
N-[(4-methyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D580-1708 |
| Compound Name: | N-[(4-methyl-5-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C18 H25 N5 O4 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCC(N1CCOCC1)=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4793 |
| logD: | 0.4793 |
| logSw: | -2.0184 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.917 |
| InChI Key: | YYXSUHMICHFTNZ-UHFFFAOYSA-N |