9-(4-chlorophenyl)-6,6-dimethyl-2-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-chlorophenyl)-6,6-dimethyl-2-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-chlorophenyl)-6,6-dimethyl-2-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 5223-6862 |
| Compound Name: | 9-(4-chlorophenyl)-6,6-dimethyl-2-(pyridin-3-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 405.89 |
| Molecular Formula: | C22 H20 Cl N5 O |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)[Cl])n3c(N2)nc(c2cccnc2)n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9735 |
| logD: | 3.1022 |
| logSw: | -4.6041 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.862 |
| InChI Key: | DVJMQPKUSPYNHC-IBGZPJMESA-N |