N-{6-[(3-methoxypropyl)carbamamido]-1,3-benzothiazol-2-yl}-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{6-[(3-methoxypropyl)carbamamido]-1,3-benzothiazol-2-yl}-4-methylbenzene-1-sulfonamide
N-{6-[(3-methoxypropyl)carbamamido]-1,3-benzothiazol-2-yl}-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | L366-0316 |
| Compound Name: | N-{6-[(3-methoxypropyl)carbamamido]-1,3-benzothiazol-2-yl}-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C19 H22 N4 O4 S2 |
| Smiles: | [H]c1cc(cc2c1nc(NS(c1ccc(C)cc1)(=O)=O)s2)NC(NCCCOC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7619 |
| logD: | 3.3609 |
| logSw: | -3.8403 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.73 |
| InChI Key: | VSBBDSQKSHYXAA-UHFFFAOYSA-N |