N-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-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-(5-chloro-2-methylphenyl)-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: | F367-0137 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-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: | 500.02 |
| Molecular Formula: | C24 H26 Cl N5 O3 S |
| Smiles: | CC(C)OCCCN1C(c2ccccc2n2c1nnc2SCC(Nc1cc(ccc1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4182 |
| logD: | 3.4181 |
| logSw: | -3.9131 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.215 |
| InChI Key: | MXJNWQHCECQDPT-UHFFFAOYSA-N |