N-(butan-2-yl)-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-(butan-2-yl)-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-(butan-2-yl)-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: | F472-0819 |
| Compound Name: | N-(butan-2-yl)-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: | 430.53 |
| Molecular Formula: | C20 H26 N6 O3 S |
| Smiles: | CCC(C)NC(c1ccc2C(N(C)c3nnc(n3c2c1)SCC(NC(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8271 |
| logD: | 0.8271 |
| logSw: | -2.5325 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.193 |
| InChI Key: | RGNNNIRICIVPJM-LBPRGKRZSA-N |