Chemical ID: 5400751

CC(C)c1nnc(o1)SCCC(=O)Nc2cccc(c2)Cl
Chemical ID:
5400751
Name [?]:
N-(3-chlorophenyl)-3-[(5-isopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILES [?]:
CC(C)c1nnc(o1)SCCC(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C14H16ClN3O2S/c1-9(2)13-17-18-14(20-13)21-7-6-12(19)16-11-5-3-4-10(15)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,3,17,18,16,11,10,20,2,19,15,12,4,7,21,14,5,6,13,8,9/E:(1,2)/rA:21nCCCCNNCOSCCCONCCCCCCCl/rB:s1;s2;s2;d4;s5;d6;s4s7;s7;s9;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H16ClN3O2S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.2307
Area:547.872
Solvation:-2.46611
Coulombic:-35.2645
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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Descriptor Annotations

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