methyl 2-{4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrobenzoyl}benzoate
Chemical Structure Depiction of
methyl 2-{4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrobenzoyl}benzoate
methyl 2-{4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrobenzoyl}benzoate
Compound characteristics
| Compound ID: | 8017-0182 |
| Compound Name: | methyl 2-{4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrobenzoyl}benzoate |
| Molecular Weight: | 450.49 |
| Molecular Formula: | C22 H14 N2 O5 S2 |
| Smiles: | COC(c1ccccc1C(c1ccc(c(c1)[N+]([O-])=O)Sc1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0926 |
| logD: | 6.0926 |
| logSw: | -5.6211 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.77 |
| InChI Key: | WAINREAOVFOBIP-UHFFFAOYSA-N |