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Chemical ID: 6360051
Chemical ID:
6360051
Name [?]:
N-[4-(4-chlorophenyl)thiazol-2-yl]-3-nitrido-propanamide
SMILES [?]:
c1cc(ccc1c2csc(n2)NC(=O)CC#N)Cl
InChi [?]:
InChI=1/C12H8ClN3OS/c13-9-3-1-8(2-4-9)10-7-18-12(15-10)16-11(17)5-6-14/h1-4,7H,5H2,(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,15,16,8,6,3,7,13,10,18,17,11,12,14,9/E:(1,2)(3,4)/rA:18nCCCCCCCCSCNNCOCCNCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;t16;s3;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8ClN3OS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.98285 |
Area: | 471.578 |
Solvation: | -3.8066 |
Coulombic: | -27.6076 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 277.73 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.06 |
LogP (Chemaxon): | 3.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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