2-({[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-({[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-({[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-4826 |
| Compound Name: | 2-({[4-(4-methylpiperidin-1-yl)-3-nitrophenyl]methylidene}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C22 H24 N4 O2 S |
| Smiles: | CC1CCN(CC1)c1ccc(/C=N/c2c(C#N)c3CCCCc3s2)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3638 |
| logD: | 5.3638 |
| logSw: | -5.5532 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.369 |
| InChI Key: | KOCXKVGQTPJDGM-UHFFFAOYSA-N |