2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(propan-2-yl)acetamide
2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | J084-0425 |
| Compound Name: | 2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(propan-2-yl)acetamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | CC(C)NC(CSc1nnc2c3ccccc3nc(c3ccc(cc3)OC)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6022 |
| logD: | 3.5989 |
| logSw: | -3.7859 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.571 |
| InChI Key: | JJYIOGZJBROALR-UHFFFAOYSA-N |