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81514-39-8 | 1-[4-[2-[(4-AMINO-5-CHLORO-2-METHOXY-PHENYL)SULFONYLAMINO]ETHYL]PHENYL ]SULFONYL-3-CYCLOHEXYL-UREA
CAS No: 81514-39-8 Catalog No: AG005K7Y MDL No:
Product Description
Catalog Number:
AG005K7Y
Chemical Name:
1-[4-[2-[(4-AMINO-5-CHLORO-2-METHOXY-PHENYL)SULFONYLAMINO]ETHYL]PHENYL ]SULFONYL-3-CYCLOHEXYL-UREA
CAS Number:
81514-39-8
Molecular Formula:
C22H29ClN4O6S2
Molecular Weight:
545.0719
IUPAC Name:
1-[4-[2-[(4-amino-5-chloro-2-methoxyphenyl)sulfonylamino]ethyl]phenyl]sulfonyl-3-cyclohexylurea
InChI:
InChI=1S/C22H29ClN4O6S2/c1-33-20-14-19(24)18(23)13-21(20)35(31,32)25-12-11-15-7-9-17(10-8-15)34(29,30)27-22(28)26-16-5-3-2-4-6-16/h7-10,13-14,16,25H,2-6,11-12,24H2,1H3,(H2,26,27,28)
InChI Key:
HUUCVIXSQOUWRF-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1S(=O)(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1)Cl
Properties
Complexity:
894
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
544.122g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
545.066g/mol
Monoisotopic Mass:
544.122g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
173A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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