methyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate
Chemical Structure Depiction of
methyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate
methyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate
Compound characteristics
| Compound ID: | 3448-6716 |
| Compound Name: | methyl N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoro-2-[(methoxycarbonyl)amino]alaninate |
| Molecular Weight: | 391.37 |
| Molecular Formula: | C15 H16 F3 N3 O4 S |
| Smiles: | COC(C(C(F)(F)F)(NC(=O)OC)Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1531 |
| logD: | 2.1827 |
| logSw: | -3.3592 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.245 |
| InChI Key: | ARMUQQRVFFFKCQ-AWEZNQCLSA-N |