Chemical ID: 5436439

CC(C)Oc1ccccc1C(=O)Nc2ncc(s2)Cc3cccc(c3)Cl
Chemical ID:
5436439
Name [?]:
N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-2-isopropoxy-benzamide
SMILES [?]:
CC(C)Oc1ccccc1C(=O)Nc2ncc(s2)Cc3cccc(c3)Cl
InChi [?]:
InChI=1/C20H19ClN2O2S/c1-13(2)25-18-9-4-3-8-17(18)19(24)23-20-22-12-16(26-20)11-14-6-5-7-15(21)10-14/h3-10,12-13H,11H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,8,7,22,21,23,9,6,25,19,16,2,20,24,17,10,5,11,14,26,15,13,12,4,18/E:(1,2)/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;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19ClN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.336
Area:608.619
Solvation:-4.87947
Coulombic:-34.7659
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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