Chemical ID: 7017606

CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)c2cccc(c2)OC)c3ccc(c(c3)OC)O
Chemical ID:
7017606
Name [?]:
1-(3-diethylaminopropyl)-3-hydroxy-5-(4-hydroxy-3-methoxy-phenyl)-4-(3-methoxybenzoyl)-5H-pyrrol-2-one
SMILES [?]:
CCN(CC)CCCN1C(C(=C(C1=O)O)C(=O)c2cccc(c2)OC)c3ccc(c(c3)OC)O
InChi [?]:
InChI=1/C26H32N2O6/c1-5-27(6-2)13-8-14-28-23(17-11-12-20(29)21(16-17)34-4)22(25(31)26(28)32)24(30)18-9-7-10-19(15-18)33-3/h7,9-12,15-16,23,29,31H,5-6,8,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,25,33,2,4,20,7,19,21,27,28,6,8,23,31,26,18,22,29,30,11,10,16,12,13,3,9,34,17,15,14,24,32/E:(1,2)(5,6)/rA:34cCCNCCCCCNCCCCOOCOCCCCCCOCCCCCCCOCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s9s12;d13;s12;s11;d16;s16;s18;d19;s20;d21;d18s22;s22;s24;s10;s26;d27;s28;d29;d26s30;s30;s32;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H32N2O6
All Atoms:66
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:9.91122
Area:733.697
Solvation:-8.4312
Coulombic:-77.2241
Bond Count [?]
All:36
Single:27
Double:9
Rotors:11
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:468.542
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.68
LogP (Chemaxon):-0.79

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