N-(butan-2-yl)-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea
Chemical Structure Depiction of
N-(butan-2-yl)-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea
N-(butan-2-yl)-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea
Compound characteristics
| Compound ID: | M072-0597 |
| Compound Name: | N-(butan-2-yl)-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea |
| Molecular Weight: | 369.5 |
| Molecular Formula: | C16 H23 N3 O3 S2 |
| Smiles: | CCC(C)NC(Nc1ccc2c(c1)sc(n2)S(CC(C)C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7495 |
| logD: | 3.7495 |
| logSw: | -3.9612 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.108 |
| InChI Key: | RAQWXNOGCKXPFG-NSHDSACASA-N |