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926664-32-6 | 1-(1,3-Benzodioxol-5-yl)-N-[5-[(S)-(2-chlorophenyl)[(3R)-3-hydroxy-1-pyrrolidinyl]methyl]-2-thiazolyl]-cyclopropanecarboxamide
CAS No: 926664-32-6 Catalog No: AG00H2DE MDL No:
Product Description
Catalog Number:
AG00H2DE
Chemical Name:
1-(1,3-Benzodioxol-5-yl)-N-[5-[(S)-(2-chlorophenyl)[(3R)-3-hydroxy-1-pyrrolidinyl]methyl]-2-thiazolyl]-cyclopropanecarboxamide
CAS Number:
926664-32-6
IUPAC Name:
1-(1,3-benzodioxol-5-yl)-N-[5-[(S)-(2-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
InChI:
InChI=1S/C25H24ClN3O4S/c26-18-4-2-1-3-17(18)22(29-10-7-16(30)13-29)21-12-27-24(34-21)28-23(31)25(8-9-25)15-5-6-19-20(11-15)33-14-32-19/h1-6,11-12,16,22,30H,7-10,13-14H2,(H,27,28,31)/t16-,22+/m1/s1
InChI Key:
OUGLISSDQZYBGK-ZHRRBRCNSA-N
Properties
Complexity:
758
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
497.118g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
497.994g/mol
Monoisotopic Mass:
497.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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