N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D139-0361 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C16 H17 N5 O2 S3 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSc1nc(ns1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9769 |
| logD: | 1.9414 |
| logSw: | -2.3599 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.399 |
| InChI Key: | PCPUQBHKNFOVQW-UHFFFAOYSA-N |