Bionet1_000022
[5-[chloro(difluoro)methyl]-2,3-dihydro-1,4-diazepin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
Also Known As: Bionet1_000022|MixCom2_000083|KS-00002YD6|{5-[chloro(difluoro)methyl]-2,3-dihydro-1H-1,4-diazepin-1-yl}[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]methanone|10R-0302|[5-[chloro(difluoro)methyl]-2,3-dihydro-1,4-diazepin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone|5-(chlorodifluoromethyl)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-2,3-dihydro-1H-1,4-diazepine
| Molecular Formula | C17H13Cl2F2N3O2 |
|---|---|
| Molecular Weight | 399.03528 g/mol |
| LogP | 4.54552 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.03528 |
| Monoisotopic Mass | 399.03528 |
| Heavy Atoms | 26 |
| Complexity | 903.6532 |
Chemical Identifiers
| CAS Number | 444151-89-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N3CCN=C(C=C3)C(F)(F)Cl |
Product Overview
Bionet1_000022 (CAS 444151-89-7), with molecular formula C17H13Cl2F2N3O2 and molecular weight 399.03528 g/mol. IUPAC: [5-[chloro(difluoro)methyl]-2,3-dihydro-1,4-diazepin-1-yl]-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone.
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