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Chemical ID: 6754706
Chemical ID:
6754706
Name [?]:
N-[2-(4-benzoyl-2,3-dioxo-5-phenyl-pyrrolidin-1-yl)ethyl]acetamide
SMILES [?]:
CC(=O)NCCN1C(C(C(=O)C1=O)C(=O)c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C21H20N2O4/c1-14(24)22-12-13-23-18(15-8-4-2-5-9-15)17(20(26)21(23)27)19(25)16-10-6-3-7-11-16/h2-11,17-18H,12-13H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,19,24,26,18,20,23,27,17,21,5,6,2,22,16,9,8,14,10,12,4,7,3,15,11,13/E:(4,5)(6,7)(8,9)(10,11)/rA:27cCCONCCNCCCOCOCOCCCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;d10;s7s10;d12;s9;d14;s14;s16;d17;s18;d19;d16s20;s8;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N2O4 |
All Atoms: | 47 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.51839 |
Area: | 574.367 |
Solvation: | -4.84078 |
Coulombic: | -55.4237 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 364.395 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.51 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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