6,6-dimethyl-2,9-diphenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
6,6-dimethyl-2,9-diphenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
6,6-dimethyl-2,9-diphenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | 6069-0525 |
| Compound Name: | 6,6-dimethyl-2,9-diphenyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C23 H22 N4 O |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3)n3c(N2)nc(c2ccccc2)n3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7586 |
| logD: | 4.7406 |
| logSw: | -4.5648 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.345 |
| InChI Key: | LVAPHSMCGXPXPD-FQEVSTJZSA-N |