Chemical ID: 6909893

CC(C)Oc1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3OC
Chemical ID:
6909893
Name [?]:
N-[4-(4-isopropoxyphenyl)thiazol-2-yl]-2-methoxy-benzamide
SMILES [?]:
CC(C)Oc1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3OC
InChi [?]:
InChI=1/C20H20N2O3S/c1-13(2)25-15-10-8-14(9-11-15)17-12-26-20(21-17)22-19(23)16-6-4-5-7-18(16)24-3/h4-13H,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,26,21,22,20,23,7,9,6,10,12,2,8,5,19,11,24,17,14,15,16,18,25,4,13/E:(1,2)(8,9)(10,11)/rA:26nCCCOCCCCCCCCSCNNCOCCCCCCOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S
All Atoms:46
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.30055
Area:587.678
Solvation:-5.39141
Coulombic:-42.1169
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.54
LogP (Chemaxon):4.7

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