2-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
Chemical Structure Depiction of
2-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
2-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide
Compound characteristics
| Compound ID: | Y042-3399 |
| Compound Name: | 2-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}acetamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C20 H18 N6 O2 S |
| Smiles: | C(c1ccc(cc1)NC(CSCC1NC(c2ccccc2N=1)=O)=O)n1cncn1 |
| Stereo: | ACHIRAL |
| logP: | 1.3255 |
| logD: | 1.3238 |
| logSw: | -2.3547 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.026 |
| InChI Key: | UTJKYOCMCYEERS-UHFFFAOYSA-N |