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85223-18-3 | 1-((4-((6'-(DIETHYLAMINO)-3-OXOSPIRO(ISOBENZOFURAN-1(3H),9'-(9H)XANTHEN)-2'-YL)AMINO)PHENYL)SULFONYL)PYRROLIDINE
CAS No: 85223-18-3 Catalog No: AG004Q8T MDL No:
Product Description
Catalog Number:
AG004Q8T
Chemical Name:
1-((4-((6'-(DIETHYLAMINO)-3-OXOSPIRO(ISOBENZOFURAN-1(3H),9'-(9H)XANTHEN)-2'-YL)AMINO)PHENYL)SULFONYL)PYRROLIDINE
CAS Number:
85223-18-3
Molecular Formula:
C34H33N3O5S
Molecular Weight:
595.7079
IUPAC Name:
6'-(diethylamino)-2'-(4-pyrrolidin-1-ylsulfonylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
InChI:
InChI=1S/C34H33N3O5S/c1-3-36(4-2)25-14-17-29-32(22-25)41-31-18-13-24(21-30(31)34(29)28-10-6-5-9-27(28)33(38)42-34)35-23-11-15-26(16-12-23)43(39,40)37-19-7-8-20-37/h5-6,9-18,21-22,35H,3-4,7-8,19-20H2,1-2H3
InChI Key:
GRXCVVJOYQIUTP-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(cc1)Nc1ccc(cc1)S(=O)(=O)N1CCCC1)CC
EC Number:
286-372-7
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
595.214g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
595.714g/mol
Monoisotopic Mass:
595.214g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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