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Chemical ID: 7187900
Chemical ID:
7187900
Name [?]:
4-(4-methoxybenzoyl)-1-(2-methoxyethyl)-5-(4-tert-butylphenyl)-pyrrolidine-2,3-dione
SMILES [?]:
CC(C)(C)c1ccc(cc1)C2C(C(=O)C(=O)N2CCOC)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C25H29NO5/c1-25(2,3)18-10-6-16(7-11-18)21-20(23(28)24(29)26(21)14-15-30-4)22(27)17-8-12-19(31-5)13-9-17/h6-13,20-21H,14-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,21,31,7,9,25,29,6,10,26,28,18,19,8,24,5,27,12,11,22,13,15,2,17,23,14,16,20,30/E:(1,2,3)(6,7)(8,9)(10,11)(12,13)/rA:31cCCCCCCCCCCCCCOCONCCOCCOCCCCCCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;d15;s11s15;s17;s18;s19;s20;s12;d22;s22;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H29NO5 |
All Atoms: | 60 |
Heavy Atoms: | 31 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.71252 |
Area: | 626.071 |
Solvation: | -7.93926 |
Coulombic: | -48.4239 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 423.501 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.55 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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