N-(butan-2-yl)-4-methyl-1-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-4-methyl-1-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-4-methyl-1-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
Compound ID: | F472-0807 |
Compound Name: | N-(butan-2-yl)-4-methyl-1-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
Molecular Weight: | 478.57 |
Molecular Formula: | C24 H26 N6 O3 S |
Smiles: | CCC(C)NC(c1ccc2C(N(C)c3nnc(n3c2c1)SCC(Nc1cccc(C)c1)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.4275 |
logD: | 2.4275 |
logSw: | -2.9718 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 86.625 |
InChI Key: | QTWSHKRWVBQTOS-HNNXBMFYSA-N |