2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide
Compound characteristics
Compound ID: | 3448-7258 |
Compound Name: | 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(3-methylphenyl)acetamide |
Molecular Weight: | 351.47 |
Molecular Formula: | C20 H21 N3 O S |
Smiles: | Cc1cccc(c1)NC(CSc1c(C#N)cc2CCCCCc2n1)=O |
Stereo: | ACHIRAL |
logP: | 4.765 |
logD: | 4.765 |
logSw: | -4.4499 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 50.672 |
InChI Key: | GRXKWLYYCFSSAW-UHFFFAOYSA-N |