1-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0864 |
| Compound Name: | 1-{[2-(4-chloroanilino)-2-oxoethyl]sulfanyl}-N-cyclopentyl-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 511 |
| Molecular Formula: | C24 H23 Cl N6 O3 S |
| Smiles: | CN1C(c2ccc(cc2n2c1nnc2SCC(Nc1ccc(cc1)[Cl])=O)C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2598 |
| logD: | 3.2597 |
| logSw: | -3.9274 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.003 |
| InChI Key: | LKGLMHZAJGVJJR-UHFFFAOYSA-N |