1-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-N-(butan-2-yl)-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-N-(butan-2-yl)-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-N-(butan-2-yl)-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0818 |
| Compound Name: | 1-{[2-(3-acetylanilino)-2-oxoethyl]sulfanyl}-N-(butan-2-yl)-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 506.58 |
| Molecular Formula: | C25 H26 N6 O4 S |
| Smiles: | CCC(C)NC(c1ccc2C(N(C)c3nnc(n3c2c1)SCC(Nc1cccc(c1)C(C)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8084 |
| logD: | 1.8084 |
| logSw: | -2.7668 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.452 |
| InChI Key: | DAFZTHDQRCHXQW-AWEZNQCLSA-N |