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Chemical ID: 7200944
Chemical ID:
7200944
Name [?]:
5-(4-butoxy-3-methoxy-phenyl)-4-[hydroxy-(4-methoxy-3-methyl-phenyl)-methylene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
SMILES [?]:
CCCCOc1ccc(cc1OC)C2C(=C(c3ccc(c(c3)C)OC)O)C(=O)C(=O)N2CCOC
InChi [?]:
InChI=1/C27H33NO7/c1-6-7-13-35-21-11-8-18(16-22(21)34-5)24-23(26(30)27(31)28(24)12-14-32-3)25(29)19-9-10-20(33-4)17(2)15-19/h8-11,15-16,24,29H,6-7,12-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,23,35,25,13,2,3,8,18,19,7,32,4,33,22,10,21,9,17,20,6,11,15,14,16,27,29,31,26,28,30,34,24,12,5/rA:35cCCCCOCCCCCCOCCCCCCCCCCCOCOCOCONCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s9;s14;w15;s16;s17;d18;s19;d20;d17s21;s21;s20;s24;s16;s15;d27;s27;d29;s14s29;s31;s32;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H33NO7 |
All Atoms: | 68 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.94088 |
Area: | 742.878 |
Solvation: | -10.6311 |
Coulombic: | -70.929 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 483.553 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.42 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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