4-[(1,3-benzothiazol-2(3H)-ylidene)(cyano)acetyl]-N-methyl-N-phenylbenzene-1-sulfonamide
Chemical Structure Depiction of
4-[(1,3-benzothiazol-2(3H)-ylidene)(cyano)acetyl]-N-methyl-N-phenylbenzene-1-sulfonamide
4-[(1,3-benzothiazol-2(3H)-ylidene)(cyano)acetyl]-N-methyl-N-phenylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 2513-0167 |
| Compound Name: | 4-[(1,3-benzothiazol-2(3H)-ylidene)(cyano)acetyl]-N-methyl-N-phenylbenzene-1-sulfonamide |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C23 H17 N3 O3 S2 |
| Smiles: | CN(c1ccccc1)S(c1ccc(cc1)C(C(\C#N)=C1/Nc2ccccc2S1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.655 |
| logD: | 4.6547 |
| logSw: | -4.4326 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.527 |
| InChI Key: | NLHXSPNKQXQFOS-UHFFFAOYSA-N |