1-[4-(8-chloro-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethan-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-(4-methoxyphenyl)ethan-1-one
1-[4-(8-chloro-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | V018-3739 |
| Compound Name: | 1-[4-(8-chloro-3-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 464.95 |
| Molecular Formula: | C24 H25 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1nnc2c3ccc(cc3nc(N3CCCN(CC3)C(Cc3ccc(cc3)OC)=O)n12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7067 |
| logD: | 3.5615 |
| logSw: | -4.1988 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.845 |
| InChI Key: | WZOJQVCAMNGTNT-UHFFFAOYSA-N |