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7505-34-2 | N,10,13-TRIMETHYL-17-(6-METHYLHEPTAN-2-YL)-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3-SULFENAMIDE
CAS No: 7505-34-2 Catalog No: AG0057AP MDL No:
Product Description
Catalog Number:
AG0057AP
Chemical Name:
N,10,13-TRIMETHYL-17-(6-METHYLHEPTAN-2-YL)-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3-SULFENAMIDE
CAS Number:
7505-34-2
Molecular Formula:
C28H49NS
Molecular Weight:
431.7604
IUPAC Name:
N-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]sulfanyl]methanamine
InChI:
InChI=1S/C28H49NS/c1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(30-29-6)14-16-27(21,4)26(23)15-17-28(24,25)5/h10,19-20,22-26,29H,7-9,11-18H2,1-6H3
InChI Key:
HTHNWQMPMKADST-UHFFFAOYSA-N
SMILES:
CNSC1CCC2(C(=CCC3C2CCC2(C3CCC2C(CCCC(C)C)C)C)C1)C
NSC Number:
406370
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.359g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.767g/mol
Monoisotopic Mass:
431.359g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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