N-(3,5-dimethylphenyl)-2-[(5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-2-[(5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
N-(3,5-dimethylphenyl)-2-[(5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | F367-0142 |
| Compound Name: | N-(3,5-dimethylphenyl)-2-[(5-oxo-4-{3-[(propan-2-yl)oxy]propyl}-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]acetamide |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C25 H29 N5 O3 S |
| Smiles: | CC(C)OCCCN1C(c2ccccc2n2c1nnc2SCC(Nc1cc(C)cc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6541 |
| logD: | 3.6541 |
| logSw: | -3.8971 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.912 |
| InChI Key: | DTMJOSDOVKYIDE-UHFFFAOYSA-N |