1-{4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-3,3-dimethylbutan-1-one
Chemical Structure Depiction of
1-{4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-3,3-dimethylbutan-1-one
1-{4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-3,3-dimethylbutan-1-one
Compound characteristics
| Compound ID: | V008-2424 |
| Compound Name: | 1-{4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-3,3-dimethylbutan-1-one |
| Molecular Weight: | 472.59 |
| Molecular Formula: | C27 H32 N6 O2 |
| Salt: | not_available |
| Smiles: | CC(C)(C)CC(N1CCCN(CC1)c1nc2ccccc2c2nnc(c3cccc(c3)OC)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1129 |
| logD: | 5.0641 |
| logSw: | -5.292 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.068 |
| InChI Key: | OTSNUOGODDPWCL-UHFFFAOYSA-N |