methyl 3-nitro-5-{[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-{[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]carbamoyl}benzoate
methyl 3-nitro-5-{[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | Y032-1614 |
| Compound Name: | methyl 3-nitro-5-{[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]carbamoyl}benzoate |
| Molecular Weight: | 492.44 |
| Molecular Formula: | C18 H12 N4 O9 S2 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1ncc(s1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6676 |
| logD: | 2.574 |
| logSw: | -3.9219 |
| Hydrogen bond acceptors count: | 18 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 151.335 |
| InChI Key: | BELSDSNHQZOKEA-UHFFFAOYSA-N |