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Chemical ID: 7416544
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
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Experimental Annotations
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Descriptor Annotations
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