methyl 3-{[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate
methyl 3-{[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-3773 |
| Compound Name: | methyl 3-{[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 380.38 |
| Molecular Formula: | C15 H16 N4 O6 S |
| Smiles: | CCOCCc1nnc(NC(c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.732 |
| logD: | 0.5229 |
| logSw: | -3.2589 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.903 |
| InChI Key: | VCOQVBMVFLRHOV-UHFFFAOYSA-N |