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Chemical ID: 7523229
Chemical ID:
7523229
Name [?]:
N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2ncc(s2)Cc3ccccc3Cl
InChi [?]:
InChI=1/C18H15ClN2OS/c1-12-6-2-4-8-15(12)17(22)21-18-20-11-14(23-18)10-13-7-3-5-9-16(13)19/h2-9,11H,10H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,4,19,5,20,3,18,6,21,16,13,2,17,14,7,22,8,11,23,12,10,9,15/rA:23nCCCCCCCCONCNCCSCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClN2OS |
All Atoms: | 38 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.5768 |
Area: | 532.254 |
Solvation: | -2.72952 |
Coulombic: | -29.2776 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.0 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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