Chemical ID: 5445297

CC(C)Oc1ccccc1C(=O)Nc2ncc(s2)Cc3cccc(c3Cl)Cl
Chemical ID:
5445297
Name [?]:
N-[5-[(2,3-dichlorophenyl)methyl]thiazol-2-yl]-2-isopropoxy-benzamide
SMILES [?]:
CC(C)Oc1ccccc1C(=O)Nc2ncc(s2)Cc3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C20H18Cl2N2O2S/c1-12(2)26-17-9-4-3-7-15(17)19(25)24-20-23-11-14(27-20)10-13-6-5-8-16(21)18(13)22/h3-9,11-12H,10H2,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,8,7,22,21,9,23,6,19,16,2,20,17,10,24,5,25,11,14,27,26,15,13,12,4,18/E:(1,2)/rA:27nCCCOCCCCCCCONCNCCSCCCCCCCClCl/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s17;s19;s20;d21;s22;d23;d20s24;s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18Cl2N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.6494
Area:621.149
Solvation:-4.87936
Coulombic:-34.9452
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:421.341
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.99
LogP (Chemaxon):5.58

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Descriptor Annotations

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