2-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-4,6-dibromophenyl 3-methylbenzoate
Chemical Structure Depiction of
2-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-4,6-dibromophenyl 3-methylbenzoate
2-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-4,6-dibromophenyl 3-methylbenzoate
Compound characteristics
| Compound ID: | 8005-0943 |
| Compound Name: | 2-({2-[2-benzamido-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoyl]hydrazinylidene}methyl)-4,6-dibromophenyl 3-methylbenzoate |
| Molecular Weight: | 705.36 |
| Molecular Formula: | C32 H23 Br2 N3 O6 |
| Smiles: | Cc1cccc(c1)C(=O)Oc1c(/C=N/NC(/C(=C/c2ccc3c(c2)OCO3)NC(c2ccccc2)=O)=O)cc(cc1[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.3763 |
| logD: | 5.8004 |
| logSw: | -5.736 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.145 |
| InChI Key: | YBBZRQPHRGEXCZ-UHFFFAOYSA-N |