Chemical ID: 7015129

CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OC)CCOC)O
Chemical ID:
7015129
Name [?]:
4-(3-ethoxybenzoyl)-3-hydroxy-1-(2-methoxyethyl)-5-(3-methoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)OC)CCOC)O
InChi [?]:
InChI=1/C23H25NO6/c1-4-30-18-10-6-8-16(14-18)21(25)19-20(15-7-5-9-17(13-15)29-3)24(11-12-28-2)23(27)22(19)26/h5-10,13-14,20,26H,4,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,25,2,20,6,19,7,21,5,26,27,23,9,18,8,22,4,12,17,10,13,14,16,11,30,15,28,24,3/rA:30cCCOCCCCCCCOCCCONCCCCCCCOCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;d12;s13;d14;s14;s12s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s16;s26;s27;s28;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25NO6
All Atoms:55
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:8.75399
Area:641.036
Solvation:-7.2719
Coulombic:-65.3228
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:411.448
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.26
LogP (Chemaxon):1.9

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