9-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 5225-5515 |
| Compound Name: | 9-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 447.97 |
| Molecular Formula: | C25 H26 Cl N5 O |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)[Cl])n3c(N2)nc(c2ccc(cc2)N(C)C)n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5441 |
| logD: | 5.5261 |
| logSw: | -6.1832 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.149 |
| InChI Key: | IOCCMMVEIYNIQY-QFIPXVFZSA-N |