Chemical ID: 4864885

C=CCOc1cccc(c1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccccc4
Chemical ID:
4864885
Name [?]:
5-(3-allyloxyphenyl)-4-benzoyl-3-hydroxy-1-(2-morpholinoethyl)-5H-pyrrol-2-one
SMILES [?]:
C=CCOc1cccc(c1)C2C(=C(C(=O)N2CCN3CCOCC3)O)C(=O)c4ccccc4
InChi [?]:
InChI=1/C26H28N2O5/c1-2-15-33-21-10-6-9-20(18-21)23-22(24(29)19-7-4-3-5-8-19)25(30)26(31)28(23)12-11-27-13-16-32-17-14-27/h2-10,18,23,30H,1,11-17H2
InChi Info:
AuxInfo=1/0/N:1,2,31,30,32,7,29,33,8,6,18,17,20,24,3,21,23,10,28,9,5,12,11,26,13,14,19,16,27,25,15,22,4/E:(4,5)(7,8)(13,14)(16,17)/rA:33cCCCOCCCCCCCCCCONCCNCCOCCOCOCCCCCC/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;d12;s13;d14;s11s14;s16;s17;s18;s19;s20;s21;s22;s19s23;s13;s12;d26;s26;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H28N2O5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:11.0143
Area:704.089
Solvation:-6.58789
Coulombic:-66.0038
Bond Count [?]
All:36
Single:26
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:448.511
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.18
LogP (Chemaxon):1.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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