Chemical ID: 7034866

CCCCCOc1ccc(cc1OCC)C2C(=C(C(=O)N2CCc3ccccc3)O)C(=O)c4ccccc4
Chemical ID:
7034866
Name [?]:
4-benzoyl-5-(3-ethoxy-4-pentoxy-phenyl)-3-hydroxy-1-phenethyl-5H-pyrrol-2-one
SMILES [?]:
CCCCCOc1ccc(cc1OCC)C2C(=C(C(=O)N2CCc3ccccc3)O)C(=O)c4ccccc4
InChi [?]:
InChI=1/C32H35NO5/c1-3-5-12-21-38-26-18-17-25(22-27(26)37-4-2)29-28(30(34)24-15-10-7-11-16-24)31(35)32(36)33(29)20-19-23-13-8-6-9-14-23/h6-11,13-18,22,29,35H,3-5,12,19-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,14,3,27,36,26,28,35,37,4,25,29,34,38,9,8,23,22,5,11,24,33,10,7,12,17,16,31,18,19,21,32,30,20,13,6/E:(8,9)(10,11)(13,14)(15,16)/rA:38cCCCCCOCCCCCCOCCCCCCONCCCCCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;s10;s16;d17;s18;d19;s16s19;s21;s22;s23;s24;d25;s26;d27;d24s28;s18;s17;d31;s31;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H35NO5
All Atoms:73
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:13.2301
Area:820.673
Solvation:-7.28675
Coulombic:-60.6974
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:6.97
LogP (Chemaxon):5.69

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue