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Chemical ID: 5286268
Chemical ID:
5286268
Name [?]:
5-(2,4-dimethoxyphenyl)-3-hydroxy-4-(4-isopropoxybenzoyl)-1-(3-methoxypropyl)-5H-pyrrol-2-one
SMILES [?]:
CC(C)Oc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3OC)OC)CCCOC)O
InChi [?]:
InChI=1/C26H31NO7/c1-16(2)34-18-9-7-17(8-10-18)24(28)22-23(20-12-11-19(32-4)15-21(20)33-5)27(13-6-14-31-3)26(30)25(22)29/h7-12,15-16,23,29H,6,13-14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,33,28,26,30,7,9,6,10,21,20,29,31,23,2,8,5,22,19,24,13,18,11,14,15,17,12,34,16,32,27,25,4/E:(1,2)(7,8)(9,10)/rA:34cCCCOCCCCCCCOCCCONCCCCCCCOCOCCCCOCO/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;d13;s14;d15;s15;s13s17;s18;s19;d20;s21;d22;d19s23;s24;s25;s22;s27;s17;s29;s30;s31;s32;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H31NO7 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.007 |
Area: | 719.01 |
Solvation: | -7.96822 |
Coulombic: | -72.6585 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 469.527 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 3.99 |
LogP (Chemaxon): | 2.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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