N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-methylbutanamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-methylbutanamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-methylbutanamide
Compound characteristics
| Compound ID: | Y030-5619 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-3-methylbutanamide |
| Molecular Weight: | 312.41 |
| Molecular Formula: | C13 H16 N2 O3 S2 |
| Smiles: | CC(C)CC(Nc1nc2ccc(cc2s1)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2742 |
| logD: | 2.2738 |
| logSw: | -3.0987 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.898 |
| InChI Key: | XPUZTISBOPKWFN-UHFFFAOYSA-N |