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Chemical ID: 6876047
Chemical ID:
6876047
Name [?]:
(4-ethoxyphenyl)carbamoylmethyl 3-(4-fluorophenyl)prop-2-enoate
SMILES [?]:
CCOc1ccc(cc1)NC(=O)COC(=O)C=Cc2ccc(cc2)F
InChi [?]:
InChI=1/C19H18FNO4/c1-2-24-17-10-8-16(9-11-17)21-18(22)13-25-19(23)12-5-14-3-6-15(20)7-4-14/h3-12H,2,13H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,20,24,18,21,23,6,8,5,9,17,13,19,22,7,4,11,15,25,10,12,16,3,14/E:(3,4)(6,7)(8,9)(10,11)/rA:25nCCOCCCCCCNCOCOCOCCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18FNO4 |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.52164 |
Area: | 560.727 |
Solvation: | -5.49654 |
Coulombic: | -51.5462 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 343.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.47 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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