methyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-nitrobenzoate
Chemical Structure Depiction of
methyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-nitrobenzoate
methyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-nitrobenzoate
Compound characteristics
| Compound ID: | K784-1814 |
| Compound Name: | methyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-nitrobenzoate |
| Molecular Weight: | 357.39 |
| Molecular Formula: | C17 H15 N3 O4 S |
| Smiles: | COC(c1ccc(c(c1)[N+]([O-])=O)Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5526 |
| logD: | 4.5503 |
| logSw: | -4.6215 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.479 |
| InChI Key: | IYNBKHXUQDNUEW-UHFFFAOYSA-N |