Chemical ID: 5920970

CCC(=O)N(CCOC)CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C
Chemical ID:
5920970
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-(2-methoxyethyl)propanamide
SMILES [?]:
CCC(=O)N(CCOC)CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C
InChi [?]:
InChI=1/C21H27FN2O3S/c1-4-20(25)23(11-12-27-3)15-21(26)24(14-19-10-5-16(2)28-19)13-17-6-8-18(22)9-7-17/h5-10H,4,11-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,9,2,25,16,20,17,19,24,6,7,14,22,10,26,15,18,23,3,11,21,5,13,4,12,8,27/E:(6,7)(8,9)/rA:28nCCCONCCOCCCONCCCCCCCFCCCCCSC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;s13;s22;d23;s24;d25;s23s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27FN2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.4284
Area:627.123
Solvation:-5.24967
Coulombic:-45.222
Bond Count [?]
All:29
Single:22
Double:7
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:406.515
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.72
LogP (Chemaxon):2.2

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