N-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Chemical Structure Depiction of
N-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
N-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-6552 |
| Compound Name: | N-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide |
| Molecular Weight: | 395.3 |
| Molecular Formula: | C17 H23 Br N4 O2 |
| Smiles: | CC1CCc2c(C1)c(C(NCCCn1c(C)c(c(C)n1)[Br])=O)no2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4487 |
| logD: | 2.4487 |
| logSw: | -2.5235 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.425 |
| InChI Key: | KDLPGCVVIZOEQN-SNVBAGLBSA-N |