2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl N-acetylmethioninate
Chemical Structure Depiction of
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl N-acetylmethioninate
2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl N-acetylmethioninate
Compound characteristics
Compound ID: | 8006-2484 |
Compound Name: | 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl N-acetylmethioninate |
Molecular Weight: | 409.52 |
Molecular Formula: | C18 H23 N3 O4 S2 |
Smiles: | CC(NC(CCSC)C(=O)OCC(Nc1c(C#N)c2CCCCc2s1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.7728 |
logD: | 0.6716 |
logSw: | -2.4531 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 85.503 |
InChI Key: | CECGJUSTWDQEHD-AWEZNQCLSA-N |