Chemical ID: 7416544

CC(C)c1ccc(cc1)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)C=Cc4ccco4
Chemical ID:
7416544
Name [?]:
4-[3-(2-furyl)prop-2-enoyl]-3-hydroxy-5-(4-isopropylphenyl)-1-(3-pyridylmethyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)c1ccc(cc1)C2C(=C(C(=O)N2Cc3cccnc3)O)C(=O)C=Cc4ccco4
InChi [?]:
InChI=1/C26H24N2O4/c1-17(2)19-7-9-20(10-8-19)24-23(22(29)12-11-21-6-4-14-32-21)25(30)26(31)28(24)16-18-5-3-13-27-15-18/h3-15,17,24,30H,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,19,30,18,29,5,9,6,8,27,26,20,31,22,16,2,17,4,7,28,24,11,10,12,13,21,15,25,23,14,32/E:(1,2)(7,8)(9,10)/rA:32cCCCCCCCCCCCCCONCCCCCNCOCOCCCCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;d13;s10s13;s15;s16;s17;d18;s19;d20;d17s21;s12;s11;d24;s24;w26;s27;d28;s29;d30;s28s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H24N2O4
All Atoms:56
Heavy Atoms:32
Chiral Atoms:None
ZAP Information [?]
Total:9.61177
Area:649.258
Solvation:-6.61967
Coulombic:-52.4751
Bond Count [?]
All:35
Single:23
Double:12
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.03
LogP (Chemaxon):None

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