Chemical ID: 7449464

CC(C)Oc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3ccccc3OC)O
Chemical ID:
7449464
Name [?]:
4-[hydroxy-(4-isopropoxyphenyl)-methylene]-1-(2-methoxyethyl)-5-(2-methoxyphenyl)-pyrrolidine-2,3-dione
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOC)c3ccccc3OC)O
InChi [?]:
InChI=1/C24H27NO6/c1-15(2)31-17-11-9-16(10-12-17)22(26)20-21(18-7-5-6-8-19(18)30-4)25(13-14-29-3)24(28)23(20)27/h5-12,15,21,26H,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,22,30,25,26,24,27,7,9,6,10,19,20,2,8,5,23,28,12,13,11,17,15,14,31,18,16,21,29,4/E:(1,2)(9,10)(11,12)/rA:31cCCCOCCCCCCCCCNCOCOCCOCCCCCCCOCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;s14;d15;s12s15;d17;s14;s19;s20;s21;s13;s23;d24;s25;d26;d23s27;s28;s29;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27NO6
All Atoms:58
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:7.73653
Area:595.582
Solvation:-7.15301
Coulombic:-66.277
Bond Count [?]
All:33
Single:24
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:425.474
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.08
LogP (Chemaxon):1.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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