N-{6-[(4-bromobenzene-1-sulfonyl)amino]-1,3-benzothiazol-2-yl}propanamide
Chemical Structure Depiction of
N-{6-[(4-bromobenzene-1-sulfonyl)amino]-1,3-benzothiazol-2-yl}propanamide
N-{6-[(4-bromobenzene-1-sulfonyl)amino]-1,3-benzothiazol-2-yl}propanamide
Compound characteristics
| Compound ID: | F689-0012 |
| Compound Name: | N-{6-[(4-bromobenzene-1-sulfonyl)amino]-1,3-benzothiazol-2-yl}propanamide |
| Molecular Weight: | 440.34 |
| Molecular Formula: | C16 H14 Br N3 O3 S2 |
| Smiles: | [H]c1cc(cc2c1nc(NC(CC)=O)s2)NS(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3549 |
| logD: | 3.9606 |
| logSw: | -4.3088 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.799 |
| InChI Key: | PKPHLYNUIFSJKS-UHFFFAOYSA-N |