Chemical ID: 5921009

CCC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C)C(=O)C(C)C
Chemical ID:
5921009
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-2-methyl-N-sec-butyl-propanamide
SMILES [?]:
CCC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(s2)C)C(=O)C(C)C
InChi [?]:
InChI=1/C23H31FN2O2S/c1-6-17(4)26(23(28)16(2)3)15-22(27)25(14-21-12-7-18(5)29-21)13-19-8-10-20(24)11-9-19/h7-12,16-17H,6,13-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,28,29,4,24,2,21,12,16,13,15,20,10,18,6,27,3,22,11,14,19,7,25,17,9,5,8,26,23/E:(2,3)(8,9)(10,11)/rA:29cCCCCNCCONCCCCCCCFCCCCCSCCOCCC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;s18;d19;s20;d21;s19s22;s22;s5;d25;s25;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31FN2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.4279
Area:622.225
Solvation:-4.12773
Coulombic:-38.6129
Bond Count [?]
All:30
Single:23
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:418.569
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.45
LogP (Chemaxon):4.15

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Descriptor Annotations

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