N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide
Chemical Structure Depiction of
N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide
N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide
Compound characteristics
Compound ID: | 6048-0261 |
Compound Name: | N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-9H-xanthene-9-carboxamide |
Molecular Weight: | 414.53 |
Molecular Formula: | C25 H22 N2 O2 S |
Smiles: | CCC1CCc2c(C#N)c(NC(C3c4ccccc4Oc4ccccc34)=O)sc2C1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.8773 |
logD: | -0.5933 |
logSw: | -5.7327 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 46.914 |
InChI Key: | KQJMZGMPXVAGTP-OAHLLOKOSA-N |