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168274-67-7 | 2-Imidazolidinone-4,4,5,5-d4, 1-[2-[4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl]-1-piperidinyl]ethyl]- (9CI)
CAS No: 168274-67-7 Catalog No: AG001XZD MDL No:
Product Description
Catalog Number:
AG001XZD
Chemical Name:
2-Imidazolidinone-4,4,5,5-d4, 1-[2-[4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl]-1-piperidinyl]ethyl]- (9CI)
CAS Number:
168274-67-7
Molecular Formula:
C24H22ClD4FN4O
Molecular Weight:
444.9655
IUPAC Name:
1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-4,4,5,5-tetradeuterioimidazolidin-2-one
InChI:
InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)/i9D2,12D2
InChI Key:
GZKLJWGUPQBVJQ-ZXSHKXLLSA-N
SMILES:
Clc1ccc2c(c1)c(cn2c1ccc(cc1)F)C1CCN(CC1)CCN1C(=O)NC(C1([2H])[2H])([2H])[2H]
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.203g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
4
Molecular Weight:
444.972g/mol
Monoisotopic Mass:
444.203g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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