2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitrobenzamide
Chemical Structure Depiction of
2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitrobenzamide
2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitrobenzamide
Compound characteristics
| Compound ID: | 8007-4539 |
| Compound Name: | 2-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-nitrobenzamide |
| Molecular Weight: | 361.8 |
| Molecular Formula: | C16 H12 Cl N3 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.1493 |
| logD: | -0.5329 |
| logSw: | -4.8391 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.482 |
| InChI Key: | UMVJMXADMKMBDS-UHFFFAOYSA-N |