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Chemical ID: 7054432
Chemical ID:
7054432
Name [?]:
ethyl 4-[(2-tert-butyl-4-pyridyl)carbonylamino]benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)c2ccnc(c2)C(C)(C)C
InChi [?]:
InChI=1/C19H22N2O3/c1-5-24-18(23)13-6-8-15(9-7-13)21-17(22)14-10-11-20-16(12-14)19(2,3)4/h6-12H,5H2,1-4H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,23,24,2,7,11,8,10,16,17,20,6,15,9,19,13,4,21,18,12,14,5,3/E:(2,3,4)(6,7)(8,9)/rA:24nCCOCOCCCCCCNCOCCCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O3 |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9997 |
Area: | 563.396 |
Solvation: | -3.08518 |
Coulombic: | -46.5033 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 326.39 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.16 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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