2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(propan-2-yl)butanamide
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(propan-2-yl)butanamide
2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(propan-2-yl)butanamide
Compound characteristics
| Compound ID: | J084-0419 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(propan-2-yl)butanamide |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C23 H25 N5 O2 S |
| Smiles: | CCC(C(NC(C)C)=O)Sc1nnc2c3ccccc3nc(c3ccc(cc3)OC)n12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8091 |
| logD: | 4.8043 |
| logSw: | -4.6976 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.785 |
| InChI Key: | QWGQQJCMWJUTFL-IBGZPJMESA-N |