Chemical ID: 6565483

CCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2F)F
Chemical ID:
6565483
Name [?]:
(2,4-difluorophenyl)carbamoylmethyl 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)OCC(=O)Nc2ccc(cc2F)F
InChi [?]:
InChI=1/C17H15F2NO4/c1-2-23-13-6-3-11(4-7-13)17(22)24-10-16(21)20-15-8-5-12(18)9-14(15)19/h3-9H,2,10H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,19,5,9,18,21,13,7,20,4,22,17,14,10,24,23,16,15,11,3,12/E:(3,4)(6,7)/rA:24nCCOCCCCCCCOOCCONCCCCCCFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15F2NO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.90179
Area:540.317
Solvation:-5.60613
Coulombic:-54.9648
Bond Count [?]
All:25
Single:17
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:335.302
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.36
LogP (Chemaxon):2.39

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Descriptor Annotations

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