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87447-47-0 | (2S-CIS)-3-(ACETYLOXY)-2,3-DIHYDRO-2-(4-METHOXY-PHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE
CAS No: 87447-47-0 Catalog No: AG00GY1H MDL No:
Product Description
Catalog Number:
AG00GY1H
Chemical Name:
(2S-CIS)-3-(ACETYLOXY)-2,3-DIHYDRO-2-(4-METHOXY-PHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE
CAS Number:
87447-47-0
IUPAC Name:
[(2S,3S)-2-(4-methoxyphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl] acetate
InChI:
InChI=1S/C18H17NO4S/c1-11(20)23-16-17(12-7-9-13(22-2)10-8-12)24-15-6-4-3-5-14(15)19-18(16)21/h3-10,16-17H,1-2H3,(H,19,21)/t16-,17+/m1/s1
InChI Key:
WKLRIRQZTCFCSE-SJORKVTESA-N
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
343.088g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.397g/mol
Monoisotopic Mass:
343.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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