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Chemical ID: 5175240
Chemical ID:
5175240
Name [?]:
4-(2,5-dimethylbenzoyl)-5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-1-(2-methoxyethyl)-5H-pyrrol-2-one
SMILES [?]:
CCOc1ccc(cc1OC)C2C(=C(C(=O)N2CCOC)O)C(=O)c3cc(ccc3C)C
InChi [?]:
InChI=1/C25H29NO6/c1-6-32-19-10-9-17(14-20(19)31-5)22-21(24(28)25(29)26(22)11-12-30-4)23(27)18-13-15(2)7-8-16(18)3/h7-10,13-14,22,28H,6,11-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,32,31,21,11,2,28,29,6,5,18,19,26,8,27,30,7,25,4,9,13,12,23,14,15,17,24,22,16,20,10,3/rA:32cCCOCCCCCCOCCCCCONCCOCOCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;d13;s14;d15;s12s15;s17;s18;s19;s20;s14;s13;d23;s23;s25;d26;s27;d28;d25s29;s30;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29NO6 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.05749 |
Area: | 660.811 |
Solvation: | -7.46278 |
Coulombic: | -65.7564 |
Bond Count [?]
All: | 34 |
Single: | 25 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 439.501 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.87 |
LogP (Chemaxon): | 2.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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