4-(4-nitro-1H-pyrazol-1-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
Chemical Structure Depiction of
4-(4-nitro-1H-pyrazol-1-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
4-(4-nitro-1H-pyrazol-1-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | 8017-0363 |
| Compound Name: | 4-(4-nitro-1H-pyrazol-1-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide |
| Molecular Weight: | 386.43 |
| Molecular Formula: | C17 H18 N6 O3 S |
| Smiles: | C(CC(Nc1nnc(CCc2ccccc2)s1)=O)Cn1cc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.232 |
| logD: | 2.0222 |
| logSw: | -2.6441 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.022 |
| InChI Key: | CPIBXSGMQARWMQ-UHFFFAOYSA-N |