N-(4-methylphenyl)-5-[(2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-2-oxoethoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methylphenyl)-5-[(2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-2-oxoethoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
N-(4-methylphenyl)-5-[(2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-2-oxoethoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0340 |
| Compound Name: | N-(4-methylphenyl)-5-[(2-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-2-oxoethoxy)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 400.46 |
| Molecular Formula: | C18 H20 N6 O3 S |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(COCC(NCc2c[nH]nc2C)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4678 |
| logD: | 1.4677 |
| logSw: | -2.3067 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.231 |
| InChI Key: | GKQWKZSCPAFHTC-UHFFFAOYSA-N |