N-(butan-2-yl)-1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
Compound ID: | F472-0790 |
Compound Name: | N-(butan-2-yl)-1-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
Molecular Weight: | 473.96 |
Molecular Formula: | C22 H21 Cl F N5 O2 S |
Smiles: | CCC(C)NC(c1ccc2C(N(C)c3nnc(n3c2c1)SCc1c(cccc1[Cl])F)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.4187 |
logD: | 3.4187 |
logSw: | -4.0022 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.475 |
InChI Key: | SJBXIAGRIJEUEQ-LBPRGKRZSA-N |