1-{4-[3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one
Chemical Structure Depiction of
1-{4-[3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one
1-{4-[3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one
Compound characteristics
| Compound ID: | V025-1449 |
| Compound Name: | 1-{4-[3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenylbutan-1-one |
| Molecular Weight: | 504.64 |
| Molecular Formula: | C31 H32 N6 O |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCCN(CC1)c1nc2ccccc2c2nnc(c3ccccc3C)n12)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8371 |
| logD: | 5.7211 |
| logSw: | -5.7492 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.78 |
| InChI Key: | DOLCRGJHWFAOJH-XMMPIXPASA-N |