2-(benzylsulfanyl)-9-(3-bromophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-9-(3-bromophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(benzylsulfanyl)-9-(3-bromophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2900 |
| Compound Name: | 2-(benzylsulfanyl)-9-(3-bromophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 495.44 |
| Molecular Formula: | C24 H23 Br N4 O S |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3)[Br])n3c(N2)nc(n3)SCc2ccccc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7943 |
| logD: | 5.6552 |
| logSw: | -5.4791 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.067 |
| InChI Key: | YRZOQWIIWCXPPT-NRFANRHFSA-N |