N-{5-[2-(2-{[4-(diethylamino)phenyl]methylidene}hydrazinyl)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-N'-phenylurea
Chemical Structure Depiction of
N-{5-[2-(2-{[4-(diethylamino)phenyl]methylidene}hydrazinyl)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-N'-phenylurea
N-{5-[2-(2-{[4-(diethylamino)phenyl]methylidene}hydrazinyl)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-N'-phenylurea
Compound characteristics
| Compound ID: | 1067-0536 |
| Compound Name: | N-{5-[2-(2-{[4-(diethylamino)phenyl]methylidene}hydrazinyl)-2-oxoethyl]-1,3,4-thiadiazol-2-yl}-N'-phenylurea |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C22 H25 N7 O2 S |
| Smiles: | CCN(CC)c1ccc(/C=N/NC(Cc2nnc(NC(Nc3ccccc3)=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0341 |
| logD: | 4.029 |
| logSw: | -4.0039 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.42 |
| InChI Key: | LSJFWWWKRPWWPQ-UHFFFAOYSA-N |