2-bromo-N-[2-(butylsulfanyl)-1,3-benzothiazol-6-yl]benzamide
Chemical Structure Depiction of
2-bromo-N-[2-(butylsulfanyl)-1,3-benzothiazol-6-yl]benzamide
2-bromo-N-[2-(butylsulfanyl)-1,3-benzothiazol-6-yl]benzamide
Compound characteristics
| Compound ID: | IB08-5619 |
| Compound Name: | 2-bromo-N-[2-(butylsulfanyl)-1,3-benzothiazol-6-yl]benzamide |
| Molecular Weight: | 421.38 |
| Molecular Formula: | C18 H17 Br N2 O S2 |
| Smiles: | CCCCSc1nc2ccc(cc2s1)NC(c1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 6.03 |
| logD: | 6.02 |
| logSw: | -6.69 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.24 |
| InChI Key: | LTTJCNMURCPMLD-UHFFFAOYSA-N |