N-(6-bromo-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-(pyrrolidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-(6-bromo-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-(pyrrolidine-1-sulfonyl)benzamide
N-(6-bromo-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-(pyrrolidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | C059-0285 |
| Compound Name: | N-(6-bromo-3-ethyl-1,3-benzothiazol-2(3H)-ylidene)-4-(pyrrolidine-1-sulfonyl)benzamide |
| Molecular Weight: | 494.43 |
| Molecular Formula: | C20 H20 Br N3 O3 S2 |
| Smiles: | CCN1/C(=N/C(c2ccc(cc2)S(N2CCCC2)(=O)=O)=O)Sc2cc(ccc12)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1775 |
| logD: | 4.1775 |
| logSw: | -4.1777 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.332 |
| InChI Key: | PYLZZUKEROSVGY-UHFFFAOYSA-N |