N-(2H-1,3-benzodioxol-5-yl)-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea
N-(2H-1,3-benzodioxol-5-yl)-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea
Compound characteristics
| Compound ID: | M072-0589 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea |
| Molecular Weight: | 433.5 |
| Molecular Formula: | C19 H19 N3 O5 S2 |
| Smiles: | CC(C)CS(c1nc2ccc(cc2s1)NC(Nc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7668 |
| logD: | 4.7668 |
| logSw: | -4.5382 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.188 |
| InChI Key: | QZJSBASFIVSUIB-UHFFFAOYSA-N |