3-benzyl-5-{4-[(2-fluoro-5-methylphenyl)methyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
3-benzyl-5-{4-[(2-fluoro-5-methylphenyl)methyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[4,3-c]quinazoline
3-benzyl-5-{4-[(2-fluoro-5-methylphenyl)methyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | V024-3369 |
| Compound Name: | 3-benzyl-5-{4-[(2-fluoro-5-methylphenyl)methyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C29 H29 F N6 |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(CN2CCCN(CC2)c2nc3ccccc3c3nnc(Cc4ccccc4)n23)c1)F |
| Stereo: | ACHIRAL |
| logP: | 5.4065 |
| logD: | 4.7187 |
| logSw: | -5.7112 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.841 |
| InChI Key: | IQJSXWPYKGPLLJ-UHFFFAOYSA-N |