N-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Chemical Structure Depiction of
N-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
N-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-8824 |
| Compound Name: | N-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide |
| Molecular Weight: | 353.22 |
| Molecular Formula: | C14 H17 Br N4 O2 |
| Smiles: | C1CCc2c(C1)c(C(NCCCn1cc(cn1)[Br])=O)no2 |
| Stereo: | ACHIRAL |
| logP: | 1.6856 |
| logD: | 1.6856 |
| logSw: | -1.9934 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.649 |
| InChI Key: | FSFVGJNKNBSEHV-UHFFFAOYSA-N |