N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]-3-phenylprop-2-enamide
N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | D439-6179 |
| Compound Name: | N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]-3-phenylprop-2-enamide |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C24 H23 N5 O2 S |
| Smiles: | CC(C)N1C=NC2=NC(CSc3ccccc3NC(/C=C/c3ccccc3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.372 |
| logD: | 3.2033 |
| logSw: | -3.7148 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.357 |
| InChI Key: | NVNBMMLQFVASDL-UHFFFAOYSA-N |