N-cyclopentyl-4-methyl-5-oxo-1-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-4-methyl-5-oxo-1-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-4-methyl-5-oxo-1-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0868 |
| Compound Name: | N-cyclopentyl-4-methyl-5-oxo-1-({2-oxo-2-[(propan-2-yl)amino]ethyl}sulfanyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C21 H26 N6 O3 S |
| Smiles: | CC(C)NC(CSc1nnc2N(C)C(c3ccc(cc3n12)C(NC1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4247 |
| logD: | 1.4247 |
| logSw: | -2.5553 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.571 |
| InChI Key: | UWVWVBQBYJQDRW-UHFFFAOYSA-N |