N-[(4-methyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Chemical Structure Depiction of
N-[(4-methyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
N-[(4-methyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide
Compound characteristics
| Compound ID: | D580-1060 |
| Compound Name: | N-[(4-methyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-N-(4-methylphenyl)methanesulfonamide |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C21 H22 N6 O3 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCC1NC(c2ccccc2N=1)=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6668 |
| logD: | 1.665 |
| logSw: | -2.8394 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.55 |
| InChI Key: | AUDKBIFOYIRCDA-UHFFFAOYSA-N |