Chemical ID: 5909091

CCC(C)N(CC(=O)N(CCc1ccccc1)Cc2ccco2)C(=O)c3ccccc3F
Chemical ID:
5909091
Name [?]:
2-fluoro-N-[(2-furylmethyl-phenethyl-carbamoyl)methyl]-N-sec-butyl-benzamide
SMILES [?]:
CCC(C)N(CC(=O)N(CCc1ccccc1)Cc2ccco2)C(=O)c3ccccc3F
InChi [?]:
InChI=1/C26H29FN2O3/c1-3-20(2)29(26(31)23-13-7-8-14-24(23)27)19-25(30)28(18-22-12-9-17-32-22)16-15-21-10-5-4-6-11-21/h4-14,17,20H,3,15-16,18-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,15,14,16,28,29,21,13,17,20,27,30,11,10,22,18,6,3,12,19,26,31,7,24,32,9,5,8,25,23/E:(5,6)(10,11)/rA:32cCCCCNCCONCCCCCCCCCCCCCOCOCCCCCCF/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;s12;d13;s14;d15;d12s16;s9;s18;d19;s20;d21;s19s22;s5;d24;s24;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29FN2O3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.26
Area:652.887
Solvation:-5.06214
Coulombic:-46.8599
Bond Count [?]
All:34
Single:24
Double:10
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:436.519
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.56
LogP (Chemaxon):4.48

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Descriptor Annotations

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