2-{[(5-nitrothiophen-2-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[(5-nitrothiophen-2-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{[(5-nitrothiophen-2-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8004-5104 |
| Compound Name: | 2-{[(5-nitrothiophen-2-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 317.39 |
| Molecular Formula: | C14 H11 N3 O2 S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(/N=C/c1ccc([N+]([O-])=O)s1)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.2456 |
| logD: | 4.2456 |
| logSw: | -4.5389 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.888 |
| InChI Key: | ZKHOKGBGJMCPST-UHFFFAOYSA-N |