Chemical ID: 6024377

CCCCC(=O)N(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(C)C
Chemical ID:
6024377
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-pentanamide
SMILES [?]:
CCCCC(=O)N(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(C)C
InChi [?]:
InChI=1/C23H31FN2O2S/c1-5-6-7-22(27)26(17(2)3)16-23(28)25(15-21-18(4)12-13-29-21)14-19-8-10-20(24)11-9-19/h8-13,17H,5-7,14-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,29,26,2,3,4,14,18,15,17,23,24,12,20,8,27,22,13,16,21,5,9,19,11,7,6,10,25/E:(2,3)(8,9)(10,11)/rA:29nCCCCCONCCONCCCCCCCFCCCCCSCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s11;s20;d21;s22;d23;s21s24;s22;s7;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H31FN2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.4182
Area:635.228
Solvation:-4.46253
Coulombic:-37.9796
Bond Count [?]
All:30
Single:23
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:418.569
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.23
LogP (Chemaxon):4.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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