N-(butan-2-yl)-1-{[(4-chlorophenyl)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-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-1-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0785 |
| Compound Name: | N-(butan-2-yl)-1-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C22 H22 Cl N5 O2 S |
| Smiles: | CCC(C)NC(c1ccc2C(N(C)c3nnc(n3c2c1)SCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9868 |
| logD: | 2.9868 |
| logSw: | -3.6754 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.475 |
| InChI Key: | PEHLOOLOEQFUIU-ZDUSSCGKSA-N |