N-(3-methylbutyl)-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
Chemical Structure Depiction of
N-(3-methylbutyl)-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
N-(3-methylbutyl)-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
Compound characteristics
| Compound ID: | C741-0118 |
| Compound Name: | N-(3-methylbutyl)-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide |
| Molecular Weight: | 431.54 |
| Molecular Formula: | C25 H29 N5 O2 |
| Smiles: | CC(C)CCNC(CCc1nnc2N(Cc3ccc(C)cc3)C(c3ccccc3n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1905 |
| logD: | 3.1905 |
| logSw: | -3.7043 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.291 |
| InChI Key: | OAKNBFGCTCFVDF-UHFFFAOYSA-N |