ethyl [(2-nitro-4-{[(pyridin-3-yl)methyl]carbamoyl}phenyl)sulfanyl]acetate
Chemical Structure Depiction of
ethyl [(2-nitro-4-{[(pyridin-3-yl)methyl]carbamoyl}phenyl)sulfanyl]acetate
ethyl [(2-nitro-4-{[(pyridin-3-yl)methyl]carbamoyl}phenyl)sulfanyl]acetate
Compound characteristics
| Compound ID: | K781-2118 |
| Compound Name: | ethyl [(2-nitro-4-{[(pyridin-3-yl)methyl]carbamoyl}phenyl)sulfanyl]acetate |
| Molecular Weight: | 375.4 |
| Molecular Formula: | C17 H17 N3 O5 S |
| Smiles: | CCOC(CSc1ccc(cc1[N+]([O-])=O)C(NCc1cccnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0893 |
| logD: | 2.0892 |
| logSw: | -2.3564 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.409 |
| InChI Key: | LOLBXLBAOYBTMT-UHFFFAOYSA-N |