2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitrobenzamide
2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | 2043-2957 |
| Compound Name: | 2-chloro-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-nitrobenzamide |
| Molecular Weight: | 375.83 |
| Molecular Formula: | C17 H14 Cl N3 O3 S |
| Smiles: | CC1CCc2c(C#N)c(NC(c3ccc(cc3[Cl])[N+]([O-])=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5871 |
| logD: | 0.8715 |
| logSw: | -4.991 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.482 |
| InChI Key: | IOTWFZOYUHCKRX-SECBINFHSA-N |