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Chemical ID: 7190157
Chemical ID:
7190157
Name [?]:
4-(4-methoxy-2-methyl-benzoyl)-1-(3-methoxypropyl)-5-(3-phenoxyphenyl)-pyrrolidine-2,3-dione
SMILES [?]:
Cc1cc(ccc1C(=O)C2C(N(C(=O)C2=O)CCCOC)c3cccc(c3)Oc4ccccc4)OC
InChi [?]:
InChI=1/C29H29NO6/c1-19-17-22(35-3)13-14-24(19)27(31)25-26(30(15-8-16-34-2)29(33)28(25)32)20-9-7-12-23(18-20)36-21-10-5-4-6-11-21/h4-7,9-14,17-18,25-26H,8,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,36,32,31,33,24,18,23,30,34,25,5,6,17,19,3,27,2,22,29,4,26,7,10,11,8,15,13,12,9,16,14,20,35,28/E:(5,6)(10,11)/rA:36cCCCCCCCCOCCNCOCOCCCOCCCCCCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;d13;s10s13;d15;s12;s17;s18;s19;s20;s11;s22;d23;s24;d25;d22s26;s26;s28;s29;d30;s31;d32;d29s33;s4;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H29NO6 |
All Atoms: | 65 |
Heavy Atoms: | 36 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.6517 |
Area: | 732.22 |
Solvation: | -7.65386 |
Coulombic: | -57.4809 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 487.544 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 4.01 |
LogP (Chemaxon): | 4.52 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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