2-[({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Chemical Structure Depiction of
2-[({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-[({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-8169 |
| Compound Name: | 2-[({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
| Molecular Weight: | 455.37 |
| Molecular Formula: | C21 H19 Br N4 O S |
| Smiles: | COc1ccc(/C=N/c2c(C#N)c3CCCCc3s2)cc1Cn1cc(cn1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.8146 |
| logD: | 4.8146 |
| logSw: | -4.6851 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 47.273 |
| InChI Key: | MYMANDNWBODLJW-UHFFFAOYSA-N |