Chemical ID: 6004468

CCCC(=O)NC(C)C(=O)Nc1nnc(s1)c2ccc(cc2)OC
Chemical ID:
6004468
Name [?]:
N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]ethyl]butanamide
SMILES [?]:
CCCC(=O)NC(C)C(=O)Nc1nnc(s1)c2ccc(cc2)OC
InChi [?]:
InChI=1/C16H20N4O3S/c1-4-5-13(21)17-10(2)14(22)18-16-20-19-15(24-16)11-6-8-12(23-3)9-7-11/h6-10H,4-5H2,1-3H3,(H,17,21)(H,18,20,22)
InChi Info:
AuxInfo=1/1/N:1,8,24,2,3,18,22,19,21,7,17,20,4,9,15,12,6,11,14,13,5,10,23,16/E:(6,7)(8,9)/rA:24cCCCCONCCCONCNNCSCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;s7;d9;s9;s11;d12;s13;d14;s12s15;s15;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20N4O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:9.79939
Area:585.619
Solvation:-4.84109
Coulombic:-53.0475
Bond Count [?]
All:25
Single:18
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:348.421
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.9
LogP (Chemaxon):1.82

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Descriptor Annotations

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