N-cyclohexyl-3-[1-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Chemical Structure Depiction of
N-cyclohexyl-3-[1-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
N-cyclohexyl-3-[1-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Compound characteristics
| Compound ID: | L942-0208 |
| Compound Name: | N-cyclohexyl-3-[1-{[2-(dimethylamino)-2-oxoethyl]sulfanyl}-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide |
| Molecular Weight: | 456.57 |
| Molecular Formula: | C22 H28 N6 O3 S |
| Smiles: | CN(C)C(CSc1nnc2N(CCC(NC3CCCCC3)=O)C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4561 |
| logD: | 1.4561 |
| logSw: | -2.3179 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.232 |
| InChI Key: | SPEIVEPVELZRDG-UHFFFAOYSA-N |