Chemical ID: 6313796

COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OC)CCOCCO)O
Chemical ID:
6313796
Name [?]:
5-(3,4-dimethoxyphenyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4-(4-methoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(c(c3)OC)OC)CCOCCO)O
InChi [?]:
InChI=1/C24H27NO8/c1-30-17-7-4-15(5-8-17)22(27)20-21(16-6-9-18(31-2)19(14-16)32-3)25(24(29)23(20)28)10-12-33-13-11-26/h4-9,14,21,26,28H,10-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,24,5,7,18,4,8,19,27,31,28,30,22,6,17,3,20,21,11,16,9,12,13,15,32,10,33,14,2,25,23,29/E:(4,5)(7,8)/rA:33cCOCCCCCCCOCCCONCCCCCCCOCOCCCOCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;d11;s12;d13;s13;s11s15;s16;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s15;s27;s28;s29;s30;s31;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27NO8
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:5.77842
Area:675.265
Solvation:-11.1032
Coulombic:-87.1586
Bond Count [?]
All:35
Single:26
Double:9
Rotors:11
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:457.473
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:1.78
LogP (Chemaxon):0.86

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Descriptor Annotations

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