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604795-50-8 | Acetamide, 2-(2-benzoxazolylthio)-N-[2-(hexahydro-1H-azepin-1-yl)phenyl]- (9CI)
CAS No: 604795-50-8 Catalog No: AG00EMGH MDL No:
Product Description
Catalog Number:
AG00EMGH
Chemical Name:
Acetamide, 2-(2-benzoxazolylthio)-N-[2-(hexahydro-1H-azepin-1-yl)phenyl]- (9CI)
CAS Number:
604795-50-8
IUPAC Name:
N-[2-(azepan-1-yl)phenyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
InChI:
InChI=1S/C21H23N3O2S/c25-20(15-27-21-23-17-10-4-6-12-19(17)26-21)22-16-9-3-5-11-18(16)24-13-7-1-2-8-14-24/h3-6,9-12H,1-2,7-8,13-15H2,(H,22,25)
InChI Key:
YZVPKTNHPGPCIU-UHFFFAOYSA-N
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.151g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
381.494g/mol
Monoisotopic Mass:
381.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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