(2S)-N-{4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl}-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide
Chemical Structure Depiction of
(2S)-N-{4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl}-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide
(2S)-N-{4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl}-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide
Compound characteristics
| Compound ID: | Y044-5137 |
| Compound Name: | (2S)-N-{4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl}-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide |
| Molecular Weight: | 382.53 |
| Molecular Formula: | C21 H26 N4 O S |
| Smiles: | Cc1c(Cc2ccc(cc2)NC([C@H](CCSC)n2cccc2)=O)c(C)[nH]n1 |
| Stereo: | ABSOLUTE |
| logP: | 3.8256 |
| logD: | 3.8255 |
| logSw: | -4.0553 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.767 |
| InChI Key: | KOJFGDUWVCRAFW-FQEVSTJZSA-N |