N-(4-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
N-(4-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F735-0831 |
| Compound Name: | N-(4-{[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C23 H30 N6 O2 S |
| Smiles: | CCn1c(C)c(CCNC(c2ccc(cc2)NC(c2nnc(CC(C)C)s2)=O)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.8946 |
| logD: | 2.8872 |
| logSw: | -3.4401 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.862 |
| InChI Key: | MUTTWVRLAGMKLJ-UHFFFAOYSA-N |