Chemical ID: 6024364

Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CC(C)C)C(=O)CC(C)C
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

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Descriptor Annotations

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