1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl N-benzoylmethioninate
Chemical Structure Depiction of
1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl N-benzoylmethioninate
1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl N-benzoylmethioninate
Compound characteristics
| Compound ID: | 8008-5625 |
| Compound Name: | 1-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl N-benzoylmethioninate |
| Molecular Weight: | 499.65 |
| Molecular Formula: | C25 H29 N3 O4 S2 |
| Smiles: | CCC(C(Nc1c(C#N)c2CCCCc2s1)=O)OC(C(CCSC)NC(c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1297 |
| logD: | 2.6032 |
| logSw: | -4.265 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.718 |
| InChI Key: | OEVAXQLYFUYSEB-UHFFFAOYSA-N |