2-(3-chlorophenyl)-9-(2,3-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(3-chlorophenyl)-9-(2,3-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(3-chlorophenyl)-9-(2,3-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 5225-4287 |
| Compound Name: | 2-(3-chlorophenyl)-9-(2,3-dimethoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 436.9 |
| Molecular Formula: | C23 H21 Cl N4 O3 |
| Smiles: | COc1cccc(C2C3=C(CCCC3=O)Nc3nc(c4cccc(c4)[Cl])nn23)c1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7814 |
| logD: | 4.774 |
| logSw: | -4.8564 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.692 |
| InChI Key: | JFSDDHIISZZOII-FQEVSTJZSA-N |