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Chemical ID: 4304934
Chemical ID:
4304934
Name [?]:
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxyphenyl)-benzamide
SMILES [?]:
COc1ccc(cc1)NC(=O)c2ccc(cc2)N3C(=O)CCC3=O
InChi [?]:
InChI=1/C18H16N2O4/c1-24-15-8-4-13(5-9-15)19-18(23)12-2-6-14(7-3-12)20-16(21)10-11-17(20)22/h2-9H,10-11H2,1H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,13,17,5,7,14,16,4,8,21,22,12,6,15,3,19,23,10,9,18,20,24,11,2/E:(2,3)(4,5)(6,7)(8,9)(10,11)(16,17)(21,22)/rA:24nCOCCCCCCNCOCCCCCCNCOCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;s18s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16N2O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.63682 |
Area: | 529.655 |
Solvation: | -5.60455 |
Coulombic: | -50.2133 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 324.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.62 |
LogP (Chemaxon): | 1.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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