Chemical ID: 5465915

CC(C)Oc1ccccc1C(=O)Nc2ncc(s2)Cc3ccc(cc3)Cl
Chemical ID:
5465915
Name [?]:
N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-2-isopropoxy-benzamide
SMILES [?]:
CC(C)Oc1ccccc1C(=O)Nc2ncc(s2)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H19ClN2O2S/c1-13(2)25-18-6-4-3-5-17(18)19(24)23-20-22-12-16(26-20)11-14-7-9-15(21)10-8-14/h3-10,12-13H,11H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,8,7,9,6,21,25,22,24,19,16,2,20,23,17,10,5,11,14,26,15,13,12,4,18/E:(1,2)(7,8)(9,10)/rA:26nCCCOCCCCCCCONCNCCSCCCCCCCCl/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;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.4407
Area:611.543
Solvation:-4.84793
Coulombic:-34.7476
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:386.896
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.36
LogP (Chemaxon):5.07

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