{4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(3-methylphenyl)methanone
Chemical Structure Depiction of
{4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(3-methylphenyl)methanone
{4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(3-methylphenyl)methanone
Compound characteristics
| Compound ID: | V008-2390 |
| Compound Name: | {4-[3-(3-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(3-methylphenyl)methanone |
| Molecular Weight: | 492.58 |
| Molecular Formula: | C29 H28 N6 O2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)C(N1CCCN(CC1)c1nc2ccccc2c2nnc(c3cccc(c3)OC)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9232 |
| logD: | 4.8744 |
| logSw: | -4.9397 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.324 |
| InChI Key: | MLLNMAALTZGVNV-UHFFFAOYSA-N |