methyl 4-{[3-(5-methyl-2H-tetrazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(5-methyl-2H-tetrazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}benzoate
methyl 4-{[3-(5-methyl-2H-tetrazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | C301-3272 |
| Compound Name: | methyl 4-{[3-(5-methyl-2H-tetrazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}benzoate |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C21 H25 N5 O3 |
| Smiles: | Cc1nnn(C23CC4CC(CC(C4)(C3)C(Nc3ccc(cc3)C(=O)OC)=O)C2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5867 |
| logD: | 3.5854 |
| logSw: | -3.6872 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.712 |
| InChI Key: | SOSGUVUARITUOF-UHFFFAOYSA-N |