9-(3-bromo-4-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3-bromo-4-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-bromo-4-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | K832-3285 |
| Compound Name: | 9-(3-bromo-4-methoxyphenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 403.28 |
| Molecular Formula: | C18 H19 Br N4 O2 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)[Br])OC)n3c(N2)ncn3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1804 |
| logD: | 2.8078 |
| logSw: | -3.4007 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.188 |
| InChI Key: | DEDGKTGUXYQFQW-INIZCTEOSA-N |