3,3-dimethyl-1-{4-[3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}butan-1-one
Chemical Structure Depiction of
3,3-dimethyl-1-{4-[3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}butan-1-one
3,3-dimethyl-1-{4-[3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}butan-1-one
Compound characteristics
| Compound ID: | V020-8103 |
| Compound Name: | 3,3-dimethyl-1-{4-[3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}butan-1-one |
| Molecular Weight: | 456.59 |
| Molecular Formula: | C27 H32 N6 O |
| Smiles: | Cc1cccc(c1)c1nnc2c3ccccc3nc(N3CCCN(CC3)C(CC(C)(C)C)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 5.4218 |
| logD: | 5.155 |
| logSw: | -5.6572 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.524 |
| InChI Key: | YZXBXDQXBJWNFM-UHFFFAOYSA-N |