6-methyl-2-{[(4-nitrothiophen-2-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
6-methyl-2-{[(4-nitrothiophen-2-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
6-methyl-2-{[(4-nitrothiophen-2-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8005-9509 |
| Compound Name: | 6-methyl-2-{[(4-nitrothiophen-2-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 331.41 |
| Molecular Formula: | C15 H13 N3 O2 S2 |
| Smiles: | CC1CCc2c(C#N)c(/N=C/c3cc(cs3)[N+]([O-])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4887 |
| logD: | 4.4887 |
| logSw: | -4.4843 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.537 |
| InChI Key: | DTLUXXAFUHHKCY-SECBINFHSA-N |