Chemical ID: 6026152

CCC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)NC(C)(C)C
Chemical ID:
6026152
Name [?]:
N-[(4-fluorophenyl)methyl]-2-(sec-butyl-(tert-butylcarbamoyl)amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2cccs2)C(=O)NC(C)(C)C
InChi [?]:
InChI=1/C23H32FN3O2S/c1-6-17(2)27(22(29)25-23(3,4)5)16-21(28)26(15-20-8-7-13-30-20)14-18-9-11-19(24)12-10-18/h7-13,17H,6,14-16H2,1-5H3,(H,25,29)
InChi Info:
AuxInfo=1/1/N:1,4,28,29,30,2,21,20,12,16,13,15,22,10,18,6,3,11,14,19,7,24,27,17,26,9,5,8,25,23/E:(3,4,5)(9,10)(11,12)/rA:30cCCCCNCCONCCCCCCCFCCCCCSCONCCCC/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s9;s18;d19;s20;d21;s19s22;s5;d24;s24;s26;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H32FN3O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.1482
Area:643.631
Solvation:-3.94258
Coulombic:-53.0547
Bond Count [?]
All:31
Single:24
Double:7
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:433.584
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.99
LogP (Chemaxon):3.77

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Descriptor Annotations

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