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Chemical ID: 4702245
Chemical ID:
4702245
Name [?]:
2-[(4-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]thiazole-4-carboxamide
SMILES [?]:
COc1ccccc1CNC(=O)c2csc(n2)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17ClN2O2S/c1-24-17-5-3-2-4-14(17)11-21-19(23)16-12-25-18(22-16)10-13-6-8-15(20)9-7-13/h2-9,12H,10-11H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,20,24,21,23,18,9,14,19,8,22,13,3,16,11,25,10,17,12,2,15/E:(6,7)(8,9)/rA:25nCOCCCCCCCNCOCCSCNCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;d13;s14;s15;s13d16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7077 |
Area: | 600.604 |
Solvation: | -3.30736 |
Coulombic: | -38.2475 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 372.869 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.96 |
LogP (Chemaxon): | 3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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