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1308672-74-3 | Benzenemethanesulfonamide, N-[2-(dimethylamino)ethyl]-3-[[4-[(2-methyl-1H-indol-5-yl)oxy]-2-pyrimidinyl]amino]-
CAS No: 1308672-74-3 Catalog No: AG000V1D MDL No:
Product Description
Catalog Number:
AG000V1D
Chemical Name:
Benzenemethanesulfonamide, N-[2-(dimethylamino)ethyl]-3-[[4-[(2-methyl-1H-indol-5-yl)oxy]-2-pyrimidinyl]amino]-
CAS Number:
1308672-74-3
Molecular Formula:
C24H28N6O3S
Molecular Weight:
480.5825
IUPAC Name:
N-[2-(dimethylamino)ethyl]-1-[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
InChI:
InChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)
InChI Key:
TTZSNFLLYPYKIL-UHFFFAOYSA-N
SMILES:
CN(CCNS(=O)(=O)Cc1cccc(c1)Nc1nccc(n1)Oc1ccc2c(c1)cc([nH]2)C)C
UNII:
B2K5L1L8S9
Properties
Complexity:
733
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.194g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
480.587g/mol
Monoisotopic Mass:
480.194g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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