9-(5-bromo-2-methoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(5-bromo-2-methoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(5-bromo-2-methoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | K832-3295 |
| Compound Name: | 9-(5-bromo-2-methoxyphenyl)-6,6-dimethyl-2-(methylsulfanyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 449.37 |
| Molecular Formula: | C19 H21 Br N4 O2 S |
| Smiles: | CC1(C)CC2=C(C(c3cc(ccc3OC)[Br])n3c(N2)nc(n3)SC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6568 |
| logD: | 4.4308 |
| logSw: | -4.5699 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.969 |
| InChI Key: | CBGGJIGAVOPFOZ-INIZCTEOSA-N |