N-(4-methoxyphenyl)-5-(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-5-(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
N-(4-methoxyphenyl)-5-(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0147 |
| Compound Name: | N-(4-methoxyphenyl)-5-(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C19 H22 N6 O3 S |
| Smiles: | Cc1c(CNC(CCCc2nnc(C(Nc3ccc(cc3)OC)=O)s2)=O)c[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.6491 |
| logD: | 1.649 |
| logSw: | -2.4495 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.341 |
| InChI Key: | POBUHTKPUQQZDM-UHFFFAOYSA-N |