Chemical ID: 3946686

CCC(C)N(CC(=O)NCc1ccc(cc1)F)C(=O)c2csnn2
Chemical ID:
3946686
Name [?]:
N-[(4-fluorophenyl)methylcarbamoylmethyl]-N-sec-butyl-thiadiazole-4-carboxamide
SMILES [?]:
CCC(C)N(CC(=O)NCc1ccc(cc1)F)C(=O)c2csnn2
InChi [?]:
InChI=1/C16H19FN4O2S/c1-3-11(2)21(16(23)14-10-24-20-19-14)9-15(22)18-8-12-4-6-13(17)7-5-12/h4-7,10-11H,3,8-9H2,1-2H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,4,2,12,16,13,15,10,6,21,3,11,14,20,7,18,17,9,24,23,5,8,19,22/E:(4,5)(6,7)/rA:24cCCCCNCCONCCCCCCCFCOCCSNN/rB:s1;s2;s3;s3;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;s5;d18;s18;d20;s21;s22;s20d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19FN4O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.64507
Area:542.819
Solvation:-3.9254
Coulombic:-45.1373
Bond Count [?]
All:25
Single:18
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:350.412
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.64
LogP (Chemaxon):1.66

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