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10035-62-8 | 21H-Biline-8,12-dipropanoic acid, 3,18-diethenyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-, dimethyl ester
CAS No: 10035-62-8 Catalog No: AG0001PI MDL No:
Product Description
Catalog Number:
AG0001PI
Chemical Name:
21H-Biline-8,12-dipropanoic acid, 3,18-diethenyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-, dimethyl ester
CAS Number:
10035-62-8
Molecular Formula:
C35H38N4O6
Molecular Weight:
610.6994
IUPAC Name:
methyl 3-[2-[[5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoate
InChI:
InChI=1S/C35H38N4O6/c1-9-22-21(6)34(42)39-29(22)16-27-20(5)25(12-14-33(41)45-8)31(37-27)17-30-24(11-13-32(40)44-7)19(4)26(36-30)15-28-18(3)23(10-2)35(43)38-28/h9-10,15-17,36-37H,1-2,11-14H2,3-8H3,(H,39,42)
InChI Key:
JOYVAVFUXFUFHN-UHFFFAOYSA-N
SMILES:
COC(=O)CCC1=C(C)C(=NC1=Cc1[nH]c(c(c1CCC(=O)OC)C)C=C1NC(=O)C(=C1C=C)C)C=C1NC(=O)C(=C1C)C=C
Properties
Complexity:
1570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
610.279g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
610.711g/mol
Monoisotopic Mass:
610.279g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
3.2
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