2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl N-benzoylmethioninate
Chemical Structure Depiction of
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl N-benzoylmethioninate
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl N-benzoylmethioninate
Compound characteristics
| Compound ID: | 8006-4580 |
| Compound Name: | 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl N-benzoylmethioninate |
| Molecular Weight: | 471.6 |
| Molecular Formula: | C23 H25 N3 O4 S2 |
| Smiles: | CSCCC(C(=O)OCC(Nc1c(C#N)c2CCCCc2s1)=O)NC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3078 |
| logD: | 2.2066 |
| logSw: | -3.8808 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.332 |
| InChI Key: | DDROYVCERFRCBS-SFHVURJKSA-N |