N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide
Chemical Structure Depiction of
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide
Compound characteristics
| Compound ID: | C798-1118 |
| Compound Name: | N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C24 H27 N5 O2 S |
| Smiles: | Cc1c(CCNC(CCSCc2cnn(c3ccccc3)c2n2cccc2)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.696 |
| logD: | 3.696 |
| logSw: | -3.9072 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.175 |
| InChI Key: | ZIBSEQSHEOCTMA-UHFFFAOYSA-N |