Chemical ID: 5914219

CCC(C)CN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)c3ccc(cc3)F
Chemical ID:
5914219
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-4-fluoro-N-(2-methylbutyl)benzamide
SMILES [?]:
CCC(C)CN(CC(=O)N(Cc1ccccc1)Cc2cccs2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C26H29FN2O2S/c1-3-20(2)16-29(26(31)22-11-13-23(27)14-12-22)19-25(30)28(18-24-10-7-15-32-24)17-21-8-5-4-6-9-21/h4-15,20H,3,16-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,15,14,16,21,13,17,20,27,31,28,30,22,5,11,18,7,3,12,26,29,19,8,24,32,10,6,9,25,23/E:(5,6)(8,9)(11,12)(13,14)/rA:32cCCCCCNCCONCCCCCCCCCCCCSCOCCCCCCF/rB:s1;s2;s3;s3;s5;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s10;s18;d19;s20;d21;s19s22;s6;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29FN2O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.9874
Area:651.946
Solvation:-4.3113
Coulombic:-41.148
Bond Count [?]
All:34
Single:24
Double:10
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:452.585
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.17
LogP (Chemaxon):5.08

Name Annotations

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Descriptor Annotations

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