3-[7-chloro-1-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
Chemical Structure Depiction of
3-[7-chloro-1-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
3-[7-chloro-1-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide
Compound characteristics
| Compound ID: | L942-0265 |
| Compound Name: | 3-[7-chloro-1-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]-N-(propan-2-yl)propanamide |
| Molecular Weight: | 493.03 |
| Molecular Formula: | C22 H29 Cl N6 O3 S |
| Smiles: | CC(C)CCNC(CSc1nnc2N(CCC(NC(C)C)=O)C(c3cc(ccc3n12)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7022 |
| logD: | 2.7022 |
| logSw: | -3.6561 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.592 |
| InChI Key: | BVIYVXWTWYYHNV-UHFFFAOYSA-N |