Chemical ID: 5921408

CCNC(=O)N(CC=C)CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C
Chemical ID:
5921408
Name [?]:
2-(allyl-(ethylcarbamoyl)amino)-N-[(4-fluorophenyl)methyl]-N-[(5-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCNC(=O)N(CC=C)CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C
InChi [?]:
InChI=1/C21H26FN3O2S/c1-4-12-24(21(27)23-5-2)15-20(26)25(14-19-11-6-16(3)28-19)13-17-7-9-18(22)10-8-17/h4,6-11H,1,5,12-15H2,2-3H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:9,1,28,8,2,25,16,20,17,19,24,7,14,22,10,26,15,18,23,11,4,21,3,6,13,12,5,27/E:(7,8)(9,10)/rA:28nCCNCONCCCCCONCCCCCCCFCCCCCSC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s6;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;s13;s22;d23;s24;d25;s23s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26FN3O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.4923
Area:637.692
Solvation:-4.44997
Coulombic:-53.4635
Bond Count [?]
All:29
Single:21
Double:8
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:403.515
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.34
LogP (Chemaxon):2.79

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Descriptor Annotations

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