4-benzyl-1-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
4-benzyl-1-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
4-benzyl-1-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0666 |
| Compound Name: | 4-benzyl-1-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 506.63 |
| Molecular Formula: | C26 H30 N6 O3 S |
| Smiles: | CC(C)NC(c1ccc2C(N(Cc3ccccc3)c3nnc(n3c2c1)SCC(NC(C)(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2687 |
| logD: | 3.2687 |
| logSw: | -3.7441 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.538 |
| InChI Key: | FDNGPAFVTYPRNI-UHFFFAOYSA-N |