methyl 4-{[2-(4-{[rel-(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonyl}piperazin-1-yl)-1-(3-methoxyphenyl)ethoxy]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(4-{[rel-(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonyl}piperazin-1-yl)-1-(3-methoxyphenyl)ethoxy]methyl}benzoate
methyl 4-{[2-(4-{[rel-(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonyl}piperazin-1-yl)-1-(3-methoxyphenyl)ethoxy]methyl}benzoate
Compound characteristics
| Compound ID: | V009-6849 |
| Compound Name: | methyl 4-{[2-(4-{[rel-(1R,4S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonyl}piperazin-1-yl)-1-(3-methoxyphenyl)ethoxy]methyl}benzoate |
| Molecular Weight: | 598.76 |
| Molecular Formula: | C32 H42 N2 O7 S |
| Salt: | not_available |
| Smiles: | [H][C@]12CC[C@](CS(N3CCN(CC3)CC(c3cccc(c3)OC)OCc3ccc(cc3)C(=O)OC)(=O)=O)(C(C1)=O)C2(C)C |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5241 |
| logD: | 4.5234 |
| logSw: | -4.3043 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 85.075 |
| InChI Key: | VVDPKXSHWYMBKQ-ZMYRFZGLSA-N |