N-{3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2(3H)-ylidene}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2(3H)-ylidene}-3,4-dimethoxybenzamide
N-{3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2(3H)-ylidene}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | V027-4589 |
| Compound Name: | N-{3-[2-(dimethylamino)-2-oxoethyl]-1,3-benzothiazol-2(3H)-ylidene}-3,4-dimethoxybenzamide |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Smiles: | CN(C)C(CN1/C(=N/C(c2ccc(c(c2)OC)OC)=O)Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5383 |
| logD: | 1.5383 |
| logSw: | -2.4275 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.264 |
| InChI Key: | WWPVCRIYLAPARX-MRCUWXFGSA-N |