2-(benzylsulfanyl)-9-(3-bromo-4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-9-(3-bromo-4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(benzylsulfanyl)-9-(3-bromo-4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
Compound ID: | C202-2373 |
Compound Name: | 2-(benzylsulfanyl)-9-(3-bromo-4-methoxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
Molecular Weight: | 497.41 |
Molecular Formula: | C23 H21 Br N4 O2 S |
Smiles: | COc1ccc(cc1[Br])C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1ccccc1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.7614 |
logD: | 4.6995 |
logSw: | -4.6525 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.697 |
InChI Key: | VUIGGGCZVRLHGK-NRFANRHFSA-N |