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100476-95-7 | 1-Propanethione, 1-(2,6-dimethyl-1-piperidinyl)-3-(1H-indazol-3-ylamino)-
CAS No: 100476-95-7 Catalog No: AG000232 MDL No:
Product Description
Catalog Number:
AG000232
Chemical Name:
1-Propanethione, 1-(2,6-dimethyl-1-piperidinyl)-3-(1H-indazol-3-ylamino)-
CAS Number:
100476-95-7
Molecular Formula:
C17H24N4S
Molecular Weight:
316.4643
IUPAC Name:
1-(2,6-dimethylpiperidin-1-yl)-3-(1H-indazol-3-ylamino)propane-1-thione
InChI:
InChI=1S/C17H24N4S/c1-12-6-5-7-13(2)21(12)16(22)10-11-18-17-14-8-3-4-9-15(14)19-20-17/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H2,18,19,20)
InChI Key:
CRFSAXIYYXBNMQ-UHFFFAOYSA-N
SMILES:
CC1CCCC(N1C(=S)CCNc1n[nH]c2c1cccc2)C
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.172g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.467g/mol
Monoisotopic Mass:
316.172g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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