1-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0025 |
| Compound Name: | 1-{[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C25 H28 N6 O4 S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCC(Nc1ccccc1OC)=O)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7987 |
| logD: | 2.7987 |
| logSw: | -3.4861 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.303 |
| InChI Key: | ITDGZVKVPKPLDZ-UHFFFAOYSA-N |