(2H-1,3-benzodioxol-5-yl){4-[3-(2-chlorophenyl)[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-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | V021-6186 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[3-(2-chlorophenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 512.95 |
| Molecular Formula: | C27 H21 Cl N6 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)OCO2)=O)c1nc2ccccc2c2nnc(c3ccccc3[Cl])n12 |
| Stereo: | ACHIRAL |
| logP: | 4.3776 |
| logD: | 4.3124 |
| logSw: | -4.5254 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.565 |
| InChI Key: | XEJIWMZYBNWZOL-UHFFFAOYSA-N |