Chemical ID: 4324294

c1cc(sc1)C(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl
Chemical ID:
4324294
Name [?]:
N-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]thiophene-2-carboxamide
SMILES [?]:
c1cc(sc1)C(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C15H10Cl2N2OS2/c16-10-3-4-12(17)9(6-10)7-11-8-18-15(22-11)19-14(20)13-2-1-5-21-13/h1-6,8H,7H2,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,5,16,14,11,15,17,12,20,3,6,9,22,21,10,8,7,4,13/rA:22nCCCSCCONCNCCSCCCCCCCClCl/rB:s1;d2;s3;d1s4;s3;d6;s6;s8;d9;s10;d11;s9s12;s12;s14;s15;d16;s17;d18;d15s19;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10Cl2N2OS2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.1085
Area:552.199
Solvation:-2.69647
Coulombic:-28.9801
Bond Count [?]
All:24
Single:16
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:369.29
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.21
LogP (Chemaxon):4.5

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue