2,4-dichloro-N-[(1E)-1-(4-methoxyphenyl)-3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-1-en-2-yl]benzamide
Chemical Structure Depiction of
2,4-dichloro-N-[(1E)-1-(4-methoxyphenyl)-3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-1-en-2-yl]benzamide
2,4-dichloro-N-[(1E)-1-(4-methoxyphenyl)-3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-1-en-2-yl]benzamide
Compound characteristics
| Compound ID: | 3992-3264 |
| Compound Name: | 2,4-dichloro-N-[(1E)-1-(4-methoxyphenyl)-3-oxo-3-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)prop-1-en-2-yl]benzamide |
| Molecular Weight: | 501.45 |
| Molecular Formula: | C27 H30 Cl2 N2 O3 |
| Smiles: | CC1(C)CC2CC(C)(C1)CN2C(/C(=C\c1ccc(cc1)OC)NC(c1ccc(cc1[Cl])[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9582 |
| logD: | 2.5786 |
| logSw: | -6.1719 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.041 |
| InChI Key: | SIMHNKDISCIVMS-UHFFFAOYSA-N |