Chemical ID: 4405020

Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Oc4ccccc4)CCOC)O
Chemical ID:
4405020
Name [?]:
3-hydroxy-1-(2-methoxyethyl)-4-(4-methoxy-3-methyl-benzoyl)-5-(3-phenoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1cc(ccc1OC)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Oc4ccccc4)CCOC)O
InChi [?]:
InChI=1/C28H27NO6/c1-18-16-20(12-13-23(18)34-3)26(30)24-25(29(14-15-33-2)28(32)27(24)31)19-8-7-11-22(17-19)35-21-9-5-4-6-10-21/h4-13,16-17,25,31H,14-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,34,9,28,27,29,20,19,26,30,21,5,6,31,32,3,23,2,18,4,25,22,7,12,17,10,13,14,16,11,35,15,33,8,24/E:(5,6)(9,10)/rA:35cCCCCCCCOCCOCCCONCCCCCCCOCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s25;d26;s27;d28;d25s29;s16;s31;s32;s33;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H27NO6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:10.8977
Area:711.425
Solvation:-6.88792
Coulombic:-67.0257
Bond Count [?]
All:38
Single:26
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:473.517
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.63
LogP (Chemaxon):3.7

Name Annotations

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Descriptor Annotations

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