4-benzyl-1-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
4-benzyl-1-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
4-benzyl-1-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0652 |
| Compound Name: | 4-benzyl-1-({2-[(butan-2-yl)amino]-2-oxoethyl}sulfanyl)-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 506.63 |
| Molecular Formula: | C26 H30 N6 O3 S |
| Smiles: | CCC(C)NC(CSc1nnc2N(Cc3ccccc3)C(c3ccc(cc3n12)C(NC(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0055 |
| logD: | 3.0055 |
| logSw: | -3.588 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.156 |
| InChI Key: | LXGFFDPWRYJGLW-KRWDZBQOSA-N |