methyl 3-amino-4-{[(4-chlorophenyl)methyl]sulfanyl}-6-nitro-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-amino-4-{[(4-chlorophenyl)methyl]sulfanyl}-6-nitro-1-benzothiophene-2-carboxylate
methyl 3-amino-4-{[(4-chlorophenyl)methyl]sulfanyl}-6-nitro-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8012-5609 |
| Compound Name: | methyl 3-amino-4-{[(4-chlorophenyl)methyl]sulfanyl}-6-nitro-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 408.88 |
| Molecular Formula: | C17 H13 Cl N2 O4 S2 |
| Smiles: | COC(c1c(c2c(cc(cc2s1)[N+]([O-])=O)SCc1ccc(cc1)[Cl])N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5964 |
| logD: | 4.5964 |
| logSw: | -4.91 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.655 |
| InChI Key: | JCPWTUMNHIKBPD-UHFFFAOYSA-N |