3-{[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}benzoic acid
Chemical Structure Depiction of
3-{[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}benzoic acid
3-{[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}benzoic acid
Compound characteristics
| Compound ID: | Y509-3433 |
| Compound Name: | 3-{[3-(3-chloro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}benzoic acid |
| Molecular Weight: | 400.86 |
| Molecular Formula: | C20 H21 Cl N4 O3 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[Cl])C(Nc1cccc(c1)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4286 |
| logD: | 1.5428 |
| logSw: | -4.499 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.103 |
| InChI Key: | FFDWDASEQLUTRC-UHFFFAOYSA-N |