2-{[1-(5-nitro-2H-tetrazol-2-yl)propan-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-{[1-(5-nitro-2H-tetrazol-2-yl)propan-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-{[1-(5-nitro-2H-tetrazol-2-yl)propan-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-8110 |
| Compound Name: | 2-{[1-(5-nitro-2H-tetrazol-2-yl)propan-2-ylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 331.35 |
| Molecular Formula: | C13 H13 N7 O2 S |
| Smiles: | C\C(Cn1nc(nn1)[N+]([O-])=O)=N/c1c(C#N)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.1785 |
| logD: | 2.1785 |
| logSw: | -1.9844 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 95.502 |
| InChI Key: | HCTOCKJIYGRUDP-UHFFFAOYSA-N |