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Chemical ID: 6351369
Chemical ID:
6351369
Name [?]:
3-chloro-N-(4-phenylthiazol-2-yl)-benzamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)NC(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C16H11ClN2OS/c17-13-8-4-7-12(9-13)15(20)19-16-18-14(10-21-16)11-5-2-1-3-6-11/h1-10H,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,17,3,5,16,18,20,8,4,15,19,7,13,10,21,11,12,14,9/E:(2,3)(5,6)/rA:21nCCCCCCCCSCNNCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11ClN2OS |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5604 |
Area: | 512.988 |
Solvation: | -2.26431 |
Coulombic: | -30.0104 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 314.79 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.45 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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