Chemical ID: 4827109

CCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3ccc(cc3C)OCc4ccccc4
Chemical ID:
4827109
Name [?]:
4-(4-benzyloxy-2-methyl-benzoyl)-1-(3-dimethylaminopropyl)-5-(4-ethoxyphenyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1)C2C(=C(C(=O)N2CCCN(C)C)O)C(=O)c3ccc(cc3C)OCc4ccccc4
InChi [?]:
InChI=1/C32H36N2O5/c1-5-38-25-14-12-24(13-15-25)29-28(31(36)32(37)34(29)19-9-18-33(3)4)30(35)27-17-16-26(20-22(27)2)39-21-23-10-7-6-8-11-23/h6-8,10-17,20,29,36H,5,9,18-19,21H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,20,21,2,37,36,38,17,35,39,6,8,5,9,27,26,18,16,29,33,30,34,7,4,28,25,11,10,23,12,13,19,15,24,22,14,3,32/E:(3,4)(7,8)(10,11)(12,13)(14,15)/rA:39cCCOCCCCCCCCCCONCCCNCCOCOCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s10s13;s15;s16;s17;s18;s19;s19;s12;s11;d23;s23;s25;d26;s27;d28;d25s29;s30;s28;s32;s33;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C32H36N2O5
All Atoms:39
Heavy Atoms:39
Chiral Atoms:1
ZAP Information [?]
Total:12.4588
Area:793.622
Solvation:-7.38179
Coulombic:-63.8581
Bond Count [?]
All:42
Single:30
Double:12
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:528.639
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.81
LogP (Chemaxon):1.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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