1-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0256 |
| Compound Name: | 1-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-N-(2-methylpropyl)-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C27 H32 N6 O3 S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCC(Nc1cc(C)cc(C)c1)=O)C(NCC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1699 |
| logD: | 4.1699 |
| logSw: | -4.1536 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.396 |
| InChI Key: | FORFGXGSRJZEQA-UHFFFAOYSA-N |