N-cyclopentyl-1-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-1-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-1-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0863 |
| Compound Name: | N-cyclopentyl-1-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 504.61 |
| Molecular Formula: | C26 H28 N6 O3 S |
| Smiles: | Cc1cc(C)cc(c1)NC(CSc1nnc2N(C)C(c3ccc(cc3n12)C(NC1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3581 |
| logD: | 3.3581 |
| logSw: | -3.8468 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.003 |
| InChI Key: | OCHKUMXNZPZHFK-UHFFFAOYSA-N |