4-bromo-N-(2-{[2-(2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Chemical Structure Depiction of
4-bromo-N-(2-{[2-(2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
4-bromo-N-(2-{[2-(2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
Compound characteristics
| Compound ID: | 8009-3887 |
| Compound Name: | 4-bromo-N-(2-{[2-(2-nitroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide |
| Molecular Weight: | 543.42 |
| Molecular Formula: | C22 H15 Br N4 O4 S2 |
| Smiles: | C(C(Nc1ccccc1[N+]([O-])=O)=O)Sc1nc2ccc(cc2s1)NC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7199 |
| logD: | 5.7084 |
| logSw: | -5.8811 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.672 |
| InChI Key: | KDMGSRMALPDSKG-UHFFFAOYSA-N |