Chemical ID: 7034079

CCCCOc1cccc(c1)C2C(=C(C(=O)N2CCc3ccccc3)O)C(=O)c4ccc(cc4)OCCC
Chemical ID:
7034079
Name [?]:
5-(3-butoxyphenyl)-3-hydroxy-1-phenethyl-4-(4-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCOc1cccc(c1)C2C(=C(C(=O)N2CCc3ccccc3)O)C(=O)c4ccc(cc4)OCCC
InChi [?]:
InChI=1/C32H35NO5/c1-3-5-21-38-27-13-9-12-25(22-27)29-28(30(34)24-14-16-26(17-15-24)37-20-4-2)31(35)32(36)33(29)19-18-23-10-7-6-8-11-23/h6-17,22,29,35H,3-5,18-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,38,2,37,3,23,22,24,8,21,25,9,7,30,34,31,33,19,18,36,4,11,20,29,10,32,6,13,12,27,14,15,17,28,26,16,35,5/E:(7,8)(10,11)(14,15)(16,17)/rA:38cCCCCOCCCCCCCCCCONCCCCCCCCOCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;d13;s14;d15;s12s15;s17;s18;s19;s20;d21;s22;d23;d20s24;s14;s13;d27;s27;s29;d30;s31;d32;d29s33;s32;s35;s36;s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H35NO5
All Atoms:73
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:14.4928
Area:828.157
Solvation:-6.21116
Coulombic:-61.083
Bond Count [?]
All:41
Single:29
Double:12
Rotors:13
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:513.624
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:7.03
LogP (Chemaxon):5.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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