Chemical ID: 7033560

CCCOc1cccc(c1)C2C(=C(C(=O)N2CCc3ccccc3)O)C(=O)c4ccc(cc4)OCC
Chemical ID:
7033560
Name [?]:
4-(4-ethoxybenzoyl)-3-hydroxy-1-phenethyl-5-(3-propoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCCOc1cccc(c1)C2C(=C(C(=O)N2CCc3ccccc3)O)C(=O)c4ccc(cc4)OCC
InChi [?]:
InChI=1/C30H31NO5/c1-3-19-36-25-12-8-11-23(20-25)27-26(28(32)22-13-15-24(16-14-22)35-4-2)29(33)30(34)31(27)18-17-21-9-6-5-7-10-21/h5-16,20,27,33H,3-4,17-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,36,2,35,22,21,23,7,20,24,8,6,29,33,30,32,18,17,3,10,19,28,9,31,5,12,11,26,13,14,16,27,25,15,34,4/E:(6,7)(9,10)(13,14)(15,16)/rA:36cCCCOCCCCCCCCCCONCCCCCCCCOCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;d20;s21;d22;d19s23;s13;s12;d26;s26;s28;d29;s30;d31;d28s32;s31;s34;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H31NO5
All Atoms:67
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:13.0805
Area:773.187
Solvation:-6.24919
Coulombic:-60.2867
Bond Count [?]
All:39
Single:27
Double:12
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:485.571
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:6.1
LogP (Chemaxon):4.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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