(2E)-3-(4-chlorophenyl)-1-{(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}prop-2-en-1-one
Chemical Structure Depiction of
(2E)-3-(4-chlorophenyl)-1-{(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}prop-2-en-1-one
(2E)-3-(4-chlorophenyl)-1-{(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}prop-2-en-1-one
Compound characteristics
| Compound ID: | 0833-0151 |
| Compound Name: | (2E)-3-(4-chlorophenyl)-1-{(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl}prop-2-en-1-one |
| Molecular Weight: | 513.04 |
| Molecular Formula: | C31 H29 Cl N2 O3 |
| Smiles: | COc1ccc(\C=C2/CCCC3C(c4ccc(cc4)OC)N(C(/C=C/c4ccc(cc4)[Cl])=O)N=C23)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.5562 |
| logD: | 7.5562 |
| logSw: | -6.6672 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.109 |
| InChI Key: | BYBSKGSPBVZXDD-UHFFFAOYSA-N |