Chemical ID: 4305301

CCC(=O)Nc1nc(cs1)c2ccc(c(c2)Cl)Cl
Chemical ID:
4305301
Name [?]:
N-[4-(3,4-dichlorophenyl)thiazol-2-yl]propanamide
SMILES [?]:
CCC(=O)Nc1nc(cs1)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C12H10Cl2N2OS/c1-2-11(17)16-12-15-10(6-18-12)7-3-4-8(13)9(14)5-7/h3-6H,2H2,1H3,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,16,9,11,14,15,8,3,6,18,17,7,5,4,10/rA:18nCCCONCNCCSCCCCCCClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10Cl2N2OS
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.55138
Area:478.558
Solvation:-2.41256
Coulombic:-26.9071
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:301.192
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.61
LogP (Chemaxon):4.38

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Descriptor Annotations

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