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Chemical ID: 6024364
Chemical ID:
6024364
Name [?]:
N-[[(4-fluorophenyl)methyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isobutyl-3-methyl-butanamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC(C)C)C(=O)CC(C)C
InChi [?]:
InChI=1/C24H33FN2O2S/c1-17(2)12-23(28)26(13-18(3)4)16-24(29)27(15-22-19(5)10-11-30-22)14-20-6-8-21(25)9-7-20/h6-11,17-18H,12-16H2,1-5H3
InChi Info:
AuxInfo=1/0/N:29,30,23,24,1,11,15,12,14,3,4,27,21,9,7,19,28,22,2,10,13,6,25,17,16,20,8,26,18,5/E:(1,2)(3,4)(6,7)(8,9)/rA:30nCCCCSCCNCCCCCCCFCOCNCCCCCOCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s22;s20;d25;s25;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33FN2O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0497 |
Area: | 658.25 |
Solvation: | -4.40654 |
Coulombic: | -38.6228 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 432.595 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.36 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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