N-benzyl-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea
Chemical Structure Depiction of
N-benzyl-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea
N-benzyl-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea
Compound characteristics
| Compound ID: | M072-0569 |
| Compound Name: | N-benzyl-N'-[2-(2-methylpropane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C19 H21 N3 O3 S2 |
| Smiles: | CC(C)CS(c1nc2ccc(cc2s1)NC(NCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1502 |
| logD: | 4.1502 |
| logSw: | -4.17 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.395 |
| InChI Key: | OAVONETZIWDQSI-UHFFFAOYSA-N |