Chemical ID: 4352206

CCCCN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccc(c(c3)OC)OC
Chemical ID:
4352206
Name [?]:
4-benzoyl-1-butyl-5-(3,4-dimethoxyphenyl)-3-hydroxy-5H-pyrrol-2-one
SMILES [?]:
CCCCN1C(C(=C(C1=O)O)C(=O)c2ccccc2)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C23H25NO5/c1-4-5-13-24-20(16-11-12-17(28-2)18(14-16)29-3)19(22(26)23(24)27)21(25)15-9-7-6-8-10-15/h6-12,14,20,26H,4-5,13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,29,27,2,3,17,16,18,15,19,21,22,4,25,14,20,23,24,7,6,12,8,9,5,13,11,10,28,26/E:(7,8)(9,10)/rA:29cCCCCNCCCCOOCOCCCCCCCCCCCCOCOC/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;s24;s26;s23;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25NO5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:8.16362
Area:611.491
Solvation:-7.12364
Coulombic:-57.9898
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:395.448
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.11
LogP (Chemaxon):2.93

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Descriptor Annotations

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