N-(3-methylbutyl)-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea
Chemical Structure Depiction of
N-(3-methylbutyl)-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea
N-(3-methylbutyl)-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea
Compound characteristics
| Compound ID: | M072-0598 |
| Compound Name: | N-(3-methylbutyl)-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea |
| Molecular Weight: | 383.53 |
| Molecular Formula: | C17 H25 N3 O3 S2 |
| Smiles: | CC(C)CCNC(Nc1ccc2c(c1)sc(n2)S(CC(C)C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4186 |
| logD: | 4.4186 |
| logSw: | -4.1907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.508 |
| InChI Key: | WGMVJJJTUPJUSY-UHFFFAOYSA-N |