{4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
Chemical Structure Depiction of
{4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
{4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone
Compound characteristics
| Compound ID: | V025-0544 |
| Compound Name: | {4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(4-methylphenyl)methanone |
| Molecular Weight: | 511.03 |
| Molecular Formula: | C29 H27 Cl N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)C(N1CCCN(CC1)c1nc2cc(ccc2c2nnc(c3cccc(C)c3)n12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.274 |
| logD: | 5.9934 |
| logSw: | -6.2365 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.78 |
| InChI Key: | MPXCWCFQGAGMAW-UHFFFAOYSA-N |