Chemical ID: 5983945

CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)OC)NC(=O)c3ccco3
Chemical ID:
5983945
Name [?]:
N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-butyl]furan-2-carboxamide
SMILES [?]:
CCC(C)C(C(=O)Nc1nnc(s1)c2ccc(cc2)OC)NC(=O)c3ccco3
InChi [?]:
InChI=1/C20H22N4O4S/c1-4-12(2)16(21-17(25)15-6-5-11-28-15)18(26)22-20-24-23-19(29-20)13-7-9-14(27-3)10-8-13/h5-12,16H,4H2,1-3H3,(H,21,25)(H,22,24,26)
InChi Info:
AuxInfo=1/1/N:1,4,21,2,27,26,15,19,16,18,28,3,14,17,25,5,23,6,12,9,22,8,11,10,24,7,20,29,13/E:(7,8)(9,10)/rA:29cCCCCCCONCNNCSCCCCCCOCNCOCCCCO/rB:s1;s2;s3;s3;s5;d6;s6;s8;d9;s10;d11;s9s12;s12;s14;d15;s16;d17;d14s18;s17;s20;s5;s22;d23;s23;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N4O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:10.9362
Area:646.503
Solvation:-5.22641
Coulombic:-63.7499
Bond Count [?]
All:31
Single:22
Double:9
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:414.479
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.72
LogP (Chemaxon):2.74

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Descriptor Annotations

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