2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]propanamide
Chemical Structure Depiction of
2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]propanamide
2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | J084-0881 |
| Compound Name: | 2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-[(oxolan-2-yl)methyl]propanamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C24 H25 N5 O2 S |
| Smiles: | CC(C(NCC1CCCO1)=O)Sc1nnc2c3ccccc3nc(c3ccc(C)cc3)n12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1087 |
| logD: | 4.0666 |
| logSw: | -4.0905 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.649 |
| InChI Key: | OSCVCHWEIPPFDD-UHFFFAOYSA-N |