N-(butan-2-yl)-4-methyl-5-oxo-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-4-methyl-5-oxo-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-4-methyl-5-oxo-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0822 |
| Compound Name: | N-(butan-2-yl)-4-methyl-5-oxo-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-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: | CCC(C)NC(c1ccc2C(N(C)c3nnc(n3c2c1)SCc1ccc(cc1)N1CCCC1=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1788 |
| logD: | 2.1788 |
| logSw: | -3.0001 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.292 |
| InChI Key: | AXIPZYVSZAIHGE-INIZCTEOSA-N |