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Chemical ID: 5450454
Chemical ID:
5450454
Name [?]:
N-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]-2-propoxy-benzamide
SMILES [?]:
CCCOc1ccccc1C(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C20H18Cl2N2O2S/c1-2-9-26-18-6-4-3-5-16(18)19(25)24-20-23-12-15(27-20)11-13-10-14(21)7-8-17(13)22/h3-8,10,12H,2,9,11H2,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,9,6,23,24,3,21,19,16,20,22,17,10,25,5,11,14,27,26,15,13,12,4,18/rA:27nCCCOCCCCCCCONCNCCSCCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;s20;d21;s22;d23;d20s24;s25;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18Cl2N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.058 |
Area: | 642.113 |
Solvation: | -4.99479 |
Coulombic: | -34.9595 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 421.341 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.89 |
LogP (Chemaxon): | 5.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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