Chemical ID: 5393081

CC(C)c1nnc(o1)SCCC(=O)Nc2ccc(cc2)Cl
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

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