ethyl [(2-nitro-4-{[(thiophen-2-yl)methyl]carbamoyl}phenyl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(2-nitro-4-{[(thiophen-2-yl)methyl]carbamoyl}phenyl)sulfanyl]acetate
ethyl [(2-nitro-4-{[(thiophen-2-yl)methyl]carbamoyl}phenyl)sulfanyl]acetate
Compound characteristics
| Compound ID: | K781-2157 |
| Compound Name: | ethyl [(2-nitro-4-{[(thiophen-2-yl)methyl]carbamoyl}phenyl)sulfanyl]acetate |
| Molecular Weight: | 380.44 |
| Molecular Formula: | C16 H16 N2 O5 S2 |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(NCc1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2921 |
| logD: | 3.292 |
| logSw: | -3.6892 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.909 |
| InChI Key: | ZKUUHPXPGRKZEV-UHFFFAOYSA-N |