methyl 4-{[3-(4-methylphenyl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(4-methylphenyl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}benzoate
methyl 4-{[3-(4-methylphenyl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | 0508-1885 |
| Compound Name: | methyl 4-{[3-(4-methylphenyl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}benzoate |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C26 H29 N O3 |
| Smiles: | Cc1ccc(cc1)C12CC3CC(CC(C3)(C2)C(Nc2ccc(cc2)C(=O)OC)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.8689 |
| logD: | 6.8578 |
| logSw: | -5.8038 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.265 |
| InChI Key: | DIWCSSFZFFEUCE-UHFFFAOYSA-N |