1-{4-[8-chloro-3-(3-methylphenyl)[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-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-3,3-dimethylbutan-1-one
1-{4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-3,3-dimethylbutan-1-one
Compound characteristics
| Compound ID: | V025-0556 |
| Compound Name: | 1-{4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-3,3-dimethylbutan-1-one |
| Molecular Weight: | 491.04 |
| Molecular Formula: | C27 H31 Cl N6 O |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)c1nnc2c3ccc(cc3nc(N3CCCN(CC3)C(CC(C)(C)C)=O)n12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.3274 |
| logD: | 6.0467 |
| logSw: | -6.2551 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.524 |
| InChI Key: | GHCYPNHNMITYFI-UHFFFAOYSA-N |