Chemical ID: 4403492

Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Oc4ccccc4)CCOC)O
Chemical ID:
4403492
Name [?]:
3-hydroxy-1-(2-methoxyethyl)-4-(4-methylbenzoyl)-5-(3-phenoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)Oc4ccccc4)CCOC)O
InChi [?]:
InChI=1/C27H25NO5/c1-18-11-13-19(14-12-18)25(29)23-24(28(15-16-32-2)27(31)26(23)30)20-7-6-10-22(17-20)33-21-8-4-3-5-9-21/h3-14,17,24,30H,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,26,25,27,18,17,24,28,19,3,7,4,6,29,30,21,2,5,16,23,20,10,15,8,11,12,14,9,33,13,31,22/E:(4,5)(8,9)(11,12)(13,14)/rA:33cCCCCCCCCOCCCONCCCCCCCOCCCCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;d10;s11;d12;s12;s10s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;d24;s25;d26;d23s27;s14;s29;s30;s31;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H25NO5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.4957
Area:679.47
Solvation:-5.49099
Coulombic:-60.9528
Bond Count [?]
All:36
Single:24
Double:12
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:443.491
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.93
LogP (Chemaxon):3.96

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Descriptor Annotations

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