Chemical ID: 6015019

CCOCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(o2)C)C(=O)c3ccccc3F
Chemical ID:
6015019
Name [?]:
N-(3-ethoxypropyl)-2-fluoro-N-[[(4-fluorophenyl)methyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]benzamide
SMILES [?]:
CCOCCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(o2)C)C(=O)c3ccccc3F
InChi [?]:
InChI=1/C27H30F2N2O4/c1-3-34-16-6-15-30(27(33)24-7-4-5-8-25(24)29)19-26(32)31(18-23-14-9-20(2)35-23)17-21-10-12-22(28)13-11-21/h4-5,7-14H,3,6,15-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,31,32,5,30,33,23,14,18,15,17,22,6,4,12,20,8,24,13,16,21,29,34,9,27,19,35,7,11,10,28,3,25/E:(10,11)(12,13)/rA:35nCCOCCCNCCONCCCCCCCFCCCCCOCCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s11;s20;d21;s22;d23;s21s24;s24;s7;d27;s27;s29;d30;s31;d32;d29s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30F2N2O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:9.7911
Area:712.657
Solvation:-8.02534
Coulombic:-55.8105
Bond Count [?]
All:37
Single:27
Double:10
Rotors:14
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:484.535
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.15
LogP (Chemaxon):3.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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