1-{4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one
Chemical Structure Depiction of
1-{4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one
1-{4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one
Compound characteristics
| Compound ID: | V008-2367 |
| Compound Name: | 1-{4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one |
| Molecular Weight: | 492.58 |
| Molecular Formula: | C29 H28 N6 O2 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1nnc2c3ccccc3nc(N3CCCN(CC3)C(Cc3ccccc3)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.9155 |
| logD: | 4.8667 |
| logSw: | -5.0169 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.797 |
| InChI Key: | ZZWFXGURGQHPCX-UHFFFAOYSA-N |