Chemical ID: 7034546

CCOc1cccc(c1)C2C(=C(C(=O)N2CCOC)O)C(=O)c3ccccc3
Chemical ID:
7034546
Name [?]:
4-benzoyl-5-(3-ethoxyphenyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1cccc(c1)C2C(=C(C(=O)N2CCOC)O)C(=O)c3ccccc3
InChi [?]:
InChI=1/C22H23NO5/c1-3-28-17-11-7-10-16(14-17)19-18(20(24)15-8-5-4-6-9-15)21(25)22(26)23(19)12-13-27-2/h4-11,14,19,25H,3,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,2,26,25,27,6,24,28,7,5,16,17,9,23,8,4,11,10,21,12,13,15,22,20,14,18,3/E:(5,6)(8,9)/rA:28cCCOCCCCCCCCCCONCCOCOCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s12;d13;s10s13;s15;s16;s17;s18;s12;s11;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23NO5
All Atoms:51
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.32443
Area:603.205
Solvation:-5.7557
Coulombic:-59.4941
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:381.422
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.35
LogP (Chemaxon):2.15

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