Chemical ID: 5983646

CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)Cl)NC(=O)c3ccco3
Chemical ID:
5983646
Name [?]:
N-[1-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]furan-2-carboxamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)Cl)NC(=O)c3ccco3
InChi [?]:
InChI=1/C19H19ClN4O3S/c1-3-11(2)15(21-16(25)14-5-4-10-27-14)17(26)22-19-24-23-18(28-19)12-6-8-13(20)9-7-12/h4-11,15H,3H2,1-2H3,(H,21,25)(H,22,24,26)
InChi Info:
AuxInfo=1/1/N:1,4,2,26,25,15,19,16,18,27,3,14,17,24,5,22,6,12,9,20,21,8,11,10,23,7,28,13/E:(6,7)(8,9)/rA:28cCCCCCCONCNNCSCCCCCCClNCOCCCCO/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s16;d17;d14s18;s17;s5;s21;d22;s22;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19ClN4O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:12.2173
Area:645.867
Solvation:-3.92942
Coulombic:-57.625
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:418.898
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.42
LogP (Chemaxon):3.51

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