butyl 4-{[3-(3-nitro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
butyl 4-{[3-(3-nitro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}benzoate
butyl 4-{[3-(3-nitro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | 6049-2345 |
| Compound Name: | butyl 4-{[3-(3-nitro-1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}benzoate |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C24 H29 N5 O5 |
| Smiles: | CCCCOC(c1ccc(cc1)NC(C12CC3CC(C1)CC(C3)(C2)n1cnc(n1)[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3313 |
| logD: | 5.3276 |
| logSw: | -5.3985 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.317 |
| InChI Key: | JXFBDLMRBPBWAB-UHFFFAOYSA-N |