N-(3,4-dimethoxyphenyl)-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea
N-(3,4-dimethoxyphenyl)-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea
Compound characteristics
| Compound ID: | M072-0553 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C20 H23 N3 O5 S2 |
| Smiles: | CC(C)CS(c1nc2ccc(cc2s1)NC(Nc1ccc(c(c1)OC)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4686 |
| logD: | 4.4686 |
| logSw: | -4.348 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.334 |
| InChI Key: | SGYYKRUFHBUBTB-UHFFFAOYSA-N |