5-oxo-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
5-oxo-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
5-oxo-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0057 |
| Compound Name: | 5-oxo-1-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)-N-(propan-2-yl)-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 518.64 |
| Molecular Formula: | C27 H30 N6 O3 S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCc1ccc(cc1)N1CCCC1=O)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1569 |
| logD: | 3.1569 |
| logSw: | -3.5857 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.037 |
| InChI Key: | HWRYJBWXVPXBFS-UHFFFAOYSA-N |