Chemical ID: 4871220

CC(C)C(c1nnc(o1)SCc2ccc(c(c2)Cl)Cl)N
Chemical ID:
4871220
Name [?]:
1-[5-[(3,4-dichlorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-methyl-propan-1-amine
SMILES [?]:
CC(C)C(c1nnc(o1)SCc2ccc(c(c2)Cl)Cl)N
InChi [?]:
InChI=1/C13H15Cl2N3OS/c1-7(2)11(16)12-17-18-13(19-12)20-6-8-3-4-9(14)10(15)5-8/h3-5,7,11H,6,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,13,14,17,11,2,12,15,16,4,5,8,19,18,20,6,7,9,10/E:(1,2)/rA:20cCCCCCNNCOSCCCCCCCClClN/rB:s1;s2;s2;s4;d5;s6;d7;s5s8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s15;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15Cl2N3OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:11.7264
Area:531.844
Solvation:-1.56973
Coulombic:-30.0828
Bond Count [?]
All:21
Single:16
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:332.249
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:4.69
LogP (Chemaxon):3.67

Name Annotations

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Descriptor Annotations

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