3-(azepane-1-sulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
3-(azepane-1-sulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Compound characteristics
Compound ID: | 8009-5047 |
Compound Name: | 3-(azepane-1-sulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide |
Molecular Weight: | 443.59 |
Molecular Formula: | C22 H25 N3 O3 S2 |
Smiles: | C1CCCN(CC1)S(c1cccc(c1)C(Nc1c(C#N)c2CCCCc2s1)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.3511 |
logD: | 1.0879 |
logSw: | -4.3536 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.143 |
InChI Key: | CHDXVPKFCJPHTF-UHFFFAOYSA-N |