2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide
Compound characteristics
| Compound ID: | Y020-2477 |
| Compound Name: | 2-{[5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)acetamide |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C22 H24 N6 O3 S |
| Smiles: | Cc1c2C(CC(C)(C)Cc2nc(NC(CSc2nnc(c3ccccc3OC)[nH]2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2625 |
| logD: | 1.2104 |
| logSw: | -3.0639 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.205 |
| InChI Key: | SDCYHUQLESNIDM-UHFFFAOYSA-N |