CBMicro_009730
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-bromo-4-ethoxybenzamide
Also Known As: CBMicro_009730|Oprea1_766514|BIM-0009739.P001|N-[3-(1,3-Benzothiazol-2(3H)-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-3-bromo-4-ethoxybenzamide|N-[(3E)-3-(3H-BENZOTHIAZOL-2-YLIDENE)-4-OXO-1-CYCLOHEXA-1,5-DIENYL]-3-BROMO-4-ETHOXY-BENZAMIDE|N-[3-(1,3-BENZOTHIAZOL-2-YL)-4-HYDROXYPHENYL]-3-BROMO-4-ETHOXYBENZAMIDE|N-[3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-3-bromo-4-ethoxybenzamide|N-[(3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-3-bromo-4-ethoxybenzamide|N-[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-3-bromo-4-ethoxybenzamide
| Molecular Formula | C22H17BrN2O3S |
|---|---|
| Molecular Weight | 468.01434 g/mol |
| LogP | 6.0824 |
| Topological Polar Surface Area | 71.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.01434 |
| Monoisotopic Mass | 468.01434 |
| Heavy Atoms | 29 |
| Complexity | 1172.8645 |
Chemical Identifiers
| CAS Number | 6020-89-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)O)C3=NC4=CC=CC=C4S3)Br |
Product Overview
CBMicro_009730 (CAS 6020-89-9), with molecular formula C22H17BrN2O3S and molecular weight 468.01434 g/mol. IUPAC: N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-3-bromo-4-ethoxybenzamide.
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