9-(4-bromophenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-bromophenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-bromophenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2879 |
| Compound Name: | 9-(4-bromophenyl)-6,6-dimethyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 523.45 |
| Molecular Formula: | C25 H23 Br N4 O2 S |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)[Br])n3c(N2)nc(n3)SCC(c2ccccc2)=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4795 |
| logD: | 5.3405 |
| logSw: | -5.5398 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.314 |
| InChI Key: | RKRSTMPFUYMMNS-QFIPXVFZSA-N |