{4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(3-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}(3-methylphenyl)methanone
{4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(3-methylphenyl)methanone
Compound characteristics
| Compound ID: | V025-0557 |
| Compound Name: | {4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(3-methylphenyl)methanone |
| Molecular Weight: | 511.03 |
| Molecular Formula: | C29 H27 Cl N6 O |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)C(N1CCCN(CC1)c1nc2cc(ccc2c2nnc(c3cccc(C)c3)n12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.1377 |
| logD: | 5.857 |
| logSw: | -6.185 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.78 |
| InChI Key: | YZSGIMVEBWTHOY-UHFFFAOYSA-N |