methyl 3-({5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-({5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)-5-nitrobenzoate
methyl 3-({5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-3702 |
| Compound Name: | methyl 3-({5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)-5-nitrobenzoate |
| Molecular Weight: | 398.41 |
| Molecular Formula: | C14 H14 N4 O6 S2 |
| Smiles: | COCCSc1nnc(NC(c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.765 |
| logD: | 1.856 |
| logSw: | -3.3087 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.133 |
| InChI Key: | PFRSRDCTNMCPJD-UHFFFAOYSA-N |