1-[4-(8-chloro-3-methyl[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-(8-chloro-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-2-phenylbutan-1-one
1-[4-(8-chloro-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-2-phenylbutan-1-one
Compound characteristics
| Compound ID: | V028-8826 |
| Compound Name: | 1-[4-(8-chloro-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-2-phenylbutan-1-one |
| Molecular Weight: | 462.98 |
| Molecular Formula: | C25 H27 Cl N6 O |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCCN(CC1)c1nc2cc(ccc2c2nnc(C)n12)[Cl])=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6229 |
| logD: | 4.469 |
| logSw: | -4.7597 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.829 |
| InChI Key: | QRFFGWWWWQGFAA-HXUWFJFHSA-N |