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Chemical ID: 5772600
Chemical ID:
5772600
Name [?]:
ethyl [4-[(4-ethoxycarbonylaminophenyl)methyl]phenyl]aminoformate
SMILES [?]:
CCOC(=O)Nc1ccc(cc1)Cc2ccc(cc2)NC(=O)OCC
InChi [?]:
InChI=1/C19H22N2O4/c1-3-24-18(22)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(23)25-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,25,2,24,9,11,15,19,8,12,16,18,13,10,14,7,17,4,21,6,20,5,22,3,23/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)/gE:(1,2)/rA:25nCCOCONCCCCCCCCCCCCCNCOOCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22N2O4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8001 |
Area: | 594.932 |
Solvation: | -3.07316 |
Coulombic: | -67.5946 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 342.389 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.26 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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