Chemical ID: 3961638

CCCCC(=O)N(c1nnc(s1)c2ccc(cc2)Cl)C(C)C
Chemical ID:
3961638
Name [?]:
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-isopropyl-pentanamide
SMILES [?]:
CCCCC(=O)N(c1nnc(s1)c2ccc(cc2)Cl)C(C)C
InChi [?]:
InChI=1/C16H20ClN3OS/c1-4-5-6-14(21)20(11(2)3)16-19-18-15(22-16)12-7-9-13(17)10-8-12/h7-11H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,22,2,3,4,14,18,15,17,20,13,16,5,11,8,19,10,9,7,6,12/E:(2,3)(7,8)(9,10)/rA:22nCCCCCONCNNCSCCCCCCClCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;s8s11;s11;s13;d14;s15;d16;d13s17;s16;s7;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20ClN3OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:12.0046
Area:557.555
Solvation:-1.93423
Coulombic:-23.5716
Bond Count [?]
All:23
Single:17
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:337.868
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.5
LogP (Chemaxon):4.05

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Descriptor Annotations

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