ethyl (2-nitro-4-{[(pyridin-3-yl)methyl]carbamoyl}benzene-1-sulfonyl)acetate
Chemical Structure Depiction of
ethyl (2-nitro-4-{[(pyridin-3-yl)methyl]carbamoyl}benzene-1-sulfonyl)acetate
ethyl (2-nitro-4-{[(pyridin-3-yl)methyl]carbamoyl}benzene-1-sulfonyl)acetate
Compound characteristics
| Compound ID: | K781-8622 |
| Compound Name: | ethyl (2-nitro-4-{[(pyridin-3-yl)methyl]carbamoyl}benzene-1-sulfonyl)acetate |
| Molecular Weight: | 407.4 |
| Molecular Formula: | C17 H17 N3 O7 S |
| Smiles: | CCOC(CS(c1ccc(cc1[N+]([O-])=O)C(NCc1cccnc1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1879 |
| logD: | 1.1876 |
| logSw: | -1.9623 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.445 |
| InChI Key: | OFLMQDJPMXLGBK-UHFFFAOYSA-N |