2-{[(benzylsulfanyl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[(benzylsulfanyl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
2-{[(benzylsulfanyl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-9511 |
| Compound Name: | 2-{[(benzylsulfanyl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 328.5 |
| Molecular Formula: | C18 H20 N2 S2 |
| Smiles: | C1CCc2c(C#N)c(NCSCc3ccccc3)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.2427 |
| logD: | 5.2427 |
| logSw: | -5.4483 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.9254 |
| InChI Key: | SHWTYRZNWQDFRP-UHFFFAOYSA-N |