N-(butan-2-yl)-4-methyl-1-[(2-{[(4-methylphenyl)methyl]amino}-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-{[(4-methylphenyl)methyl]amino}-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-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0800 |
| Compound Name: | N-(butan-2-yl)-4-methyl-1-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C25 H28 N6 O3 S |
| Smiles: | CCC(C)NC(c1ccc2C(N(C)c3nnc(n3c2c1)SCC(NCc1ccc(C)cc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1722 |
| logD: | 2.1722 |
| logSw: | -2.9129 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.947 |
| InChI Key: | FVBVTWZLNIRTDN-INIZCTEOSA-N |