N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]cyclopropanecarboxamide
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]cyclopropanecarboxamide
N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]cyclopropanecarboxamide
Compound characteristics
| Compound ID: | D439-6130 |
| 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]cyclopropanecarboxamide |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C19 H21 N5 O2 S |
| Smiles: | CC(C)N1C=NC2=NC(CSc3ccccc3NC(C3CC3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8734 |
| logD: | 1.7046 |
| logSw: | -2.4193 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.094 |
| InChI Key: | DCNGZHONINEQRA-UHFFFAOYSA-N |