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Chemical ID: 4157959
Chemical ID:
4157959
Name [?]:
(4-fluorophenyl)carbamoylmethyl 3-(4-methoxyphenyl)prop-2-enoate
SMILES [?]:
COc1ccc(cc1)C=CC(=O)OCC(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C18H16FNO4/c1-23-16-9-2-13(3-10-16)4-11-18(22)24-12-17(21)20-15-7-5-14(19)6-8-15/h2-11H,12H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,7,9,20,22,19,23,4,8,10,14,6,21,18,3,15,11,24,17,16,12,2,13/E:(2,3)(5,6)(7,8)(9,10)/rA:24nCOCCCCCCCCCOOCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16FNO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.66965 |
Area: | 533.988 |
Solvation: | -5.68006 |
Coulombic: | -51.0586 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 329.322 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.04 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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