N-[2-(cyanomethyl)-4-phenyl-1,3-thiazol-5-yl]benzamide
Chemical Structure Depiction of
N-[2-(cyanomethyl)-4-phenyl-1,3-thiazol-5-yl]benzamide
N-[2-(cyanomethyl)-4-phenyl-1,3-thiazol-5-yl]benzamide
Compound characteristics
| Compound ID: | Y070-1150 |
| Compound Name: | N-[2-(cyanomethyl)-4-phenyl-1,3-thiazol-5-yl]benzamide |
| Molecular Weight: | 319.38 |
| Molecular Formula: | C18 H13 N3 O S |
| Smiles: | C(C#N)c1nc(c2ccccc2)c(NC(c2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.2451 |
| logD: | 3.1973 |
| logSw: | -3.5012 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.597 |
| InChI Key: | POQHWHNQMXTHTQ-UHFFFAOYSA-N |