Chemical ID: 4334771

COCCN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccccc3OC
Chemical ID:
4334771
Name [?]:
4-benzoyl-3-hydroxy-1-(2-methoxyethyl)-5-(2-methoxyphenyl)-5H-pyrrol-2-one
SMILES [?]:
COCCN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccccc3OC
InChi [?]:
InChI=1/C21H21NO5/c1-26-13-12-22-18(15-10-6-7-11-16(15)27-2)17(20(24)21(22)25)19(23)14-8-4-3-5-9-14/h3-11,18,24H,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,17,16,18,22,23,15,19,21,24,4,3,14,20,25,7,6,12,8,9,5,13,11,10,2,26/E:(4,5)(8,9)/rA:27cCOCCNCCCCOOCOCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s5s8;d9;s8;s7;d12;s12;s14;d15;s16;d17;d14s18;s6;s20;d21;s22;d23;d20s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:8.2308
Area:535.375
Solvation:-5.15358
Coulombic:-59.3172
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:367.395
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.92
LogP (Chemaxon):1.81

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Descriptor Annotations

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