Chemical ID: 6026907

CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)NCc3ccccc3
Chemical ID:
6026907
Name [?]:
2-(benzylcarbamoyl-propyl-amino)-N-[(4-fluorophenyl)methyl]-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(=O)NCc3ccccc3
InChi [?]:
InChI=1/C26H30FN3O2S/c1-3-14-29(26(32)28-16-21-7-5-4-6-8-21)19-25(31)30(18-24-20(2)13-15-33-24)17-22-9-11-23(27)12-10-22/h4-13,15H,3,14,16-19H2,1-2H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,23,2,31,30,32,29,33,11,15,12,14,20,3,21,27,9,17,5,19,28,10,13,18,6,24,16,26,4,8,7,25,22/E:(5,6)(7,8)(9,10)(11,12)/rA:33nCCCNCCONCCCCCCCFCCCCCSCCONCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s19;s4;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30FN3O2S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:13.3157
Area:711.135
Solvation:-4.46262
Coulombic:-54.2795
Bond Count [?]
All:35
Single:25
Double:10
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:467.6
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.08
LogP (Chemaxon):4.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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