Chemical ID: 7034182

CCCCCOc1cccc(c1)C2C(=C(C(=O)N2Cc3ccccc3)O)C(=O)c4ccc(cc4)OCCC
Chemical ID:
7034182
Name [?]:
1-benzyl-3-hydroxy-5-(3-pentoxyphenyl)-4-(4-propoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1cccc(c1)C2C(=C(C(=O)N2Cc3ccccc3)O)C(=O)c4ccc(cc4)OCCC
InChi [?]:
InChI=1/C32H35NO5/c1-3-5-9-20-38-27-14-10-13-25(21-27)29-28(30(34)24-15-17-26(18-16-24)37-19-4-2)31(35)32(36)33(29)22-23-11-7-6-8-12-23/h6-8,10-18,21,29,35H,3-5,9,19-20,22H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,38,2,37,3,23,22,24,4,9,21,25,10,8,30,34,31,33,36,5,12,19,20,29,11,32,7,14,13,27,15,16,18,28,26,17,35,6/E:(7,8)(11,12)(15,16)(17,18)/rA:38cCCCCCOCCCCCCCCCCONCCCCCCCOCOCCCCCCOCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;d14;s15;d16;s13s16;s18;s19;s20;d21;s22;d23;d20s24;s15;s14;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:14.3707
Area:818.15
Solvation:-6.08307
Coulombic:-61.3484
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:7.44
LogP (Chemaxon):5.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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