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557782-81-7 | N-(4,5-dihydronaphtho[1,2-d]thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CAS No: 557782-81-7 Catalog No: AG00DM2T MDL No:
Product Description
Catalog Number:
AG00DM2T
Chemical Name:
N-(4,5-dihydronaphtho[1,2-d]thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CAS Number:
557782-81-7
Molecular Formula:
C21H20N2O3S
Molecular Weight:
380.4601
IUPAC Name:
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
InChI:
InChI=1S/C21H20N2O3S/c1-25-16-9-7-13(11-17(16)26-2)12-19(24)22-21-23-20-15-6-4-3-5-14(15)8-10-18(20)27-21/h3-7,9,11H,8,10,12H2,1-2H3,(H,22,23,24)
InChI Key:
DQNMDJGZWFZNHS-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)CC(=O)Nc1sc2c(n1)c1ccccc1CC2
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.119g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.462g/mol
Monoisotopic Mass:
380.119g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Enzymic deacetylation of carcinogenic arylacetamides by tissue microsomes of the dog and other species. | Journal of toxicology and environmental health 19760101 |
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