methyl 5-carbamoyl-4-methyl-2-{[3-(1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-carbamoyl-4-methyl-2-{[3-(1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}thiophene-3-carboxylate
methyl 5-carbamoyl-4-methyl-2-{[3-(1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y508-6954 |
| Compound Name: | methyl 5-carbamoyl-4-methyl-2-{[3-(1H-1,2,4-triazol-1-yl)tricyclo[3.3.1.1~3,7~]decane-1-carbonyl]amino}thiophene-3-carboxylate |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C21 H25 N5 O4 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(C23CC4CC(C2)CC(C4)(C3)n2cncn2)=O)sc1C(N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2581 |
| logD: | -2.2819 |
| logSw: | -2.5246 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 102.877 |
| InChI Key: | XRUSCFSMXREZDK-UHFFFAOYSA-N |