N-{5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]-1,3-benzothiazol-2-yl}butanamide
Chemical Structure Depiction of
N-{5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]-1,3-benzothiazol-2-yl}butanamide
N-{5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]-1,3-benzothiazol-2-yl}butanamide
Compound characteristics
| Compound ID: | L264-1060 |
| Compound Name: | N-{5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]-1,3-benzothiazol-2-yl}butanamide |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C20 H23 N3 O3 S2 |
| Smiles: | [H]c1cc2c(cc1NS(c1cc(C)c(C)cc1C)(=O)=O)nc(NC(CCC)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.4021 |
| logD: | 4.2188 |
| logSw: | -5.3405 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.799 |
| InChI Key: | SHRNMSNCVHFBQI-UHFFFAOYSA-N |