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1802175-07-0 | 1H-Indole-3-carboxamide, N-[(1,2-dihydro-4-methoxy-6-methyl-2-oxo-3-pyridinyl)methyl]-1-[(1R)-1-[1-(ethylsulfonyl)-4-piperidinyl]ethyl]-2-methyl-
CAS No: 1802175-07-0 Catalog No: AG0021SC MDL No:
Product Description
Catalog Number:
AG0021SC
Chemical Name:
1H-Indole-3-carboxamide, N-[(1,2-dihydro-4-methoxy-6-methyl-2-oxo-3-pyridinyl)methyl]-1-[(1R)-1-[1-(ethylsulfonyl)-4-piperidinyl]ethyl]-2-methyl-
CAS Number:
1802175-07-0
Molecular Formula:
C27H36N4O5S
Molecular Weight:
528.6635
IUPAC Name:
1-[(1R)-1-(1-ethylsulfonylpiperidin-4-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide
InChI:
InChI=1S/C27H36N4O5S/c1-6-37(34,35)30-13-11-20(12-14-30)18(3)31-19(4)25(21-9-7-8-10-23(21)31)27(33)28-16-22-24(36-5)15-17(2)29-26(22)32/h7-10,15,18,20H,6,11-14,16H2,1-5H3,(H,28,33)(H,29,32)/t18-/m1/s1
InChI Key:
LHGUZCKPFXXVPV-GOSISDBHSA-N
SMILES:
COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(c2c1cccc2)[C@@H](C1CCN(CC1)S(=O)(=O)CC)C
Properties
Complexity:
1040
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
528.241g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
528.668g/mol
Monoisotopic Mass:
528.241g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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