methyl 3-nitro-5-[(1,3-thiazol-2-yl)carbamoyl]benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-[(1,3-thiazol-2-yl)carbamoyl]benzoate
methyl 3-nitro-5-[(1,3-thiazol-2-yl)carbamoyl]benzoate
Compound characteristics
| Compound ID: | Y032-0076 |
| Compound Name: | methyl 3-nitro-5-[(1,3-thiazol-2-yl)carbamoyl]benzoate |
| Molecular Weight: | 307.28 |
| Molecular Formula: | C12 H9 N3 O5 S |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1nccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4027 |
| logD: | 1.9784 |
| logSw: | -2.8947 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.364 |
| InChI Key: | VOKUUBLCYXZVFG-UHFFFAOYSA-N |