(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}butanamide
Chemical Structure Depiction of
(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}butanamide
(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}butanamide
Compound characteristics
| Compound ID: | Y043-6125 |
| Compound Name: | (2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-4-(methylsulfanyl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}butanamide |
| Molecular Weight: | 450.52 |
| Molecular Formula: | C22 H22 N6 O3 S |
| Smiles: | CSCC[C@@H](C(Nc1ccc(Cn2cncn2)cc1)=O)N1C(c2ccccc2NC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0603 |
| logD: | 2.0601 |
| logSw: | -2.9143 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.745 |
| InChI Key: | KDBSZZVJNNVFMF-IBGZPJMESA-N |