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Chemical ID: 6024394
Chemical ID:
6024394
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-hexanamide
SMILES [?]:
CCCCCC(=O)N(CC(=O)N(Cc1ccc(cc1)F)Cc2c(ccs2)C)C(C)C
InChi [?]:
InChI=1/C24H33FN2O2S/c1-5-6-7-8-23(28)27(18(2)3)17-24(29)26(16-22-19(4)13-14-30-22)15-20-9-11-21(25)12-10-20/h9-14,18H,5-8,15-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,30,27,2,3,4,5,15,19,16,18,24,25,13,21,9,28,23,14,17,22,6,10,20,12,8,7,11,26/E:(2,3)(9,10)(11,12)/rA:30nCCCCCCONCCONCCCCCCCFCCCCCSCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;s12;s21;d22;s23;d24;s22s25;s23;s8;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33FN2O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0683 |
Area: | 661.935 |
Solvation: | -4.48006 |
Coulombic: | -38.2822 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 432.595 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.8 |
LogP (Chemaxon): | 4.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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