N-(4-ethylphenyl)-N'-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]urea
Chemical Structure Depiction of
N-(4-ethylphenyl)-N'-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]urea
N-(4-ethylphenyl)-N'-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]urea
Compound characteristics
| Compound ID: | D408-0753 |
| Compound Name: | N-(4-ethylphenyl)-N'-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]urea |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C17 H17 N3 O3 S2 |
| Smiles: | CCc1ccc(cc1)NC(Nc1nc2ccc(cc2s1)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9939 |
| logD: | 3.9938 |
| logSw: | -3.9773 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.052 |
| InChI Key: | AVQNMNDBYVLRKZ-UHFFFAOYSA-N |