Chemical ID: 7173181

CC(C)Oc1ccc(cc1)C(=C2C(N(C(=O)C2=O)Cc3cccnc3)c4ccc(c(c4)OC)OC)O
Chemical ID:
7173181
Name [?]:
5-(3,4-dimethoxyphenyl)-4-[hydroxy-(4-isopropoxyphenyl)-methylene]-1-(3-pyridylmethyl)pyrrolidine-2,3-dione
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=C2C(N(C(=O)C2=O)Cc3cccnc3)c4ccc(c(c4)OC)OC)O
InChi [?]:
InChI=1/C28H28N2O6/c1-17(2)36-21-10-7-19(8-11-21)26(31)24-25(20-9-12-22(34-3)23(14-20)35-4)30(28(33)27(24)32)16-18-6-5-13-29-15-18/h5-15,17,25,31H,16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,35,33,22,21,7,9,27,6,10,28,23,31,25,19,2,20,8,26,5,29,30,12,13,11,17,15,24,14,36,18,16,34,32,4/E:(1,2)(7,8)(10,11)/rA:36cCCCOCCCCCCCCCNCOCOCCCCCNCCCCCCCOCOCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;s14;d15;s12s15;d17;s14;s19;s20;d21;s22;d23;d20s24;s13;s26;d27;s28;d29;d26s30;s30;s32;s29;s34;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H28N2O6
All Atoms:64
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:8.66477
Area:702.674
Solvation:-8.90209
Coulombic:-69.462
Bond Count [?]
All:39
Single:27
Double:12
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:488.532
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.37
LogP (Chemaxon):1.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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