(2H-1,3-benzodioxol-5-yl)[4-(3-cyclohexyl-9-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)[4-(3-cyclohexyl-9-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone
(2H-1,3-benzodioxol-5-yl)[4-(3-cyclohexyl-9-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | V029-0470 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)[4-(3-cyclohexyl-9-methyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]methanone |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C28 H30 N6 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc2c(c1)c1nnc(C3CCCCC3)n1c(n2)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9276 |
| logD: | 4.9273 |
| logSw: | -4.7448 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.757 |
| InChI Key: | FJECEQYXQCCJMJ-UHFFFAOYSA-N |