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Chemical ID: 5393081
Chemical ID:
5393081
Name [?]:
N-(4-chlorophenyl)-3-[(5-isopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILES [?]:
CC(C)c1nnc(o1)SCCC(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C14H16ClN3O2S/c1-9(2)13-17-18-14(20-13)21-8-7-12(19)16-11-5-3-10(15)4-6-11/h3-6,9H,7-8H2,1-2H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,3,17,19,16,20,11,10,2,18,15,12,4,7,21,14,5,6,13,8,9/E:(1,2)(3,4)(5,6)/rA:21nCCCCNNCOSCCCONCCCCCCCl/rB:s1;s2;s2;d4;s5;d6;s4s7;s7;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16ClN3O2S |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2595 |
Area: | 548.505 |
Solvation: | -2.45313 |
Coulombic: | -35.224 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 325.815 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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