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1234703-40-2 | Cyclopropanecarboxamide, 2-cyclohexyl-1-[4-(cyclopropylsulfonyl)phenyl]-N-[5-[[2-(1-pyrrolidinyl)ethyl]thio]-2-thiazolyl]-, (1R,2S)-
CAS No: 1234703-40-2 Catalog No: AG000KNR MDL No:MFCD21609257
Product Description
Catalog Number:
AG000KNR
Chemical Name:
Cyclopropanecarboxamide, 2-cyclohexyl-1-[4-(cyclopropylsulfonyl)phenyl]-N-[5-[[2-(1-pyrrolidinyl)ethyl]thio]-2-thiazolyl]-, (1R,2S)-
CAS Number:
1234703-40-2
Molecular Formula:
C28H37N3O3S3
Molecular Weight:
559.8067
MDL Number:
MFCD21609257
IUPAC Name:
(1R,2S)-2-cyclohexyl-1-(4-cyclopropylsulfonylphenyl)-N-[5-(2-pyrrolidin-1-ylethylsulfanyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
InChI:
InChI=1S/C28H37N3O3S3/c32-26(30-27-29-19-25(36-27)35-17-16-31-14-4-5-15-31)28(18-24(28)20-6-2-1-3-7-20)21-8-10-22(11-9-21)37(33,34)23-12-13-23/h8-11,19-20,23-24H,1-7,12-18H2,(H,29,30,32)/t24-,28-/m0/s1
InChI Key:
QIIVJLHCZUTGSD-CUBQBAPOSA-N
SMILES:
O=C([C@@]1(C[C@H]1C1CCCCC1)c1ccc(cc1)S(=O)(=O)C1CC1)Nc1ncc(s1)SCCN1CCCC1
UNII:
5A0L003HEY
Properties
Complexity:
903
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
559.2g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
559.802g/mol
Monoisotopic Mass:
559.2g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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