AC1NT6EH
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2-(4-chloro-3-methylphenoxy)acetamide
Also Known As: CBKinase1_001291|CBKinase1_013691|Oprea1_795110|Cytisine, N-methyl-, dihydrochloride|SR-01000431500-1|BRD-K38427224-001-01-4|N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2-(4-chloro-3-methylphenoxy)acetamide|1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-methyl-, dihydrochloride, (1R)-|N-[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-2-(4-chloro-3-methylphenoxy)acetamide|N-[(3Z)-3-(1,3-Benzoxazol-2(3H)-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-2-(4-chloro-3-methylphenoxy)acetamide|N-[(3Z)-3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-2-(4-chloro-3-methylphenoxy)acetamide|N-[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-2-(4-chloro-3-methylphenoxy)acetamide
| Molecular Formula | C22H17ClN2O4 |
|---|---|
| Molecular Weight | 408.08768 g/mol |
| LogP | 5.17972 |
| Topological Polar Surface Area | 84.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.08768 |
| Monoisotopic Mass | 408.08768 |
| Heavy Atoms | 29 |
| Complexity | 1169.6194 |
Chemical Identifiers
| CAS Number | 6013-75-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OCC(=O)NC2=CC(=C(C=C2)O)C3=NC4=CC=CC=C4O3)Cl |
Product Overview
AC1NT6EH (CAS 6013-75-8), with molecular formula C22H17ClN2O4 and molecular weight 408.08768 g/mol. IUPAC: N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2-(4-chloro-3-methylphenoxy)acetamide.