N-cyclohexyl-3-[1-({2-[(3-methylbutyl)amino]-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-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
N-cyclohexyl-3-[1-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide
Compound characteristics
| Compound ID: | L942-0211 |
| Compound Name: | N-cyclohexyl-3-[1-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]propanamide |
| Molecular Weight: | 498.65 |
| Molecular Formula: | C25 H34 N6 O3 S |
| Smiles: | CC(C)CCNC(CSc1nnc2N(CCC(NC3CCCCC3)=O)C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9308 |
| logD: | 2.9308 |
| logSw: | -3.6869 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.072 |
| InChI Key: | OYDARIJDFWDHIW-UHFFFAOYSA-N |