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Chemical ID: 4932335
Chemical ID:
4932335
Name [?]:
1-[(3,4-dimethoxyphenyl)-phenyl-methyl]-5-oxo-pyrrolidine-2-carboxylic acid
SMILES [?]:
COc1ccc(cc1OC)C(c2ccccc2)N3C(CCC3=O)C(=O)O
InChi [?]:
InChI=1/C20H21NO5/c1-25-16-10-8-14(12-17(16)26-2)19(13-6-4-3-5-7-13)21-15(20(23)24)9-11-18(21)22/h3-8,10,12,15,19H,9,11H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,10,15,14,16,13,17,5,20,4,21,7,12,6,19,3,8,22,11,24,18,23,25,26,2,9/E:(4,5)(6,7)(23,24)/rA:26cCOCCCCCCOCCCCCCCCNCCCCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s14;d15;d12s16;s11;s18;s19;s20;s18s21;d22;s19;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21NO5 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.04826 |
Area: | 525.446 |
Solvation: | -7.08789 |
Coulombic: | -57.3959 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 355.384 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.16 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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