methyl 2-{[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 2-{[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}benzoate
methyl 2-{[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}benzoate
Compound characteristics
| Compound ID: | E002-0159 |
| Compound Name: | methyl 2-{[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}benzoate |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C18 H23 N5 O3 S |
| Smiles: | CC1CC(C)CN(C1)c1nnc(NC(Nc2ccccc2C(=O)OC)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3098 |
| logD: | 4.3083 |
| logSw: | -4.3468 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.697 |
| InChI Key: | PLYACLPTOVZDFB-UHFFFAOYSA-N |