N-(3-cyanophenyl)-N'-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]urea
Chemical Structure Depiction of
N-(3-cyanophenyl)-N'-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]urea
N-(3-cyanophenyl)-N'-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]urea
Compound characteristics
| Compound ID: | M072-0053 |
| Compound Name: | N-(3-cyanophenyl)-N'-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]urea |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C17 H14 N4 O3 S2 |
| Smiles: | CCS(c1nc2ccc(cc2s1)NC(Nc1cccc(C#N)c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8099 |
| logD: | 3.8099 |
| logSw: | -3.9777 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.129 |
| InChI Key: | HQLXMQMAQLVAJK-UHFFFAOYSA-N |