Chemical ID: 5940512

CC(C)C(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc(c3)OC
Chemical ID:
5940512
Name [?]:
N-[4-[2-(3-methoxyphenyl)aminothiazol-4-yl]phenyl]-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)Nc1ccc(cc1)c2csc(n2)Nc3cccc(c3)OC
InChi [?]:
InChI=1/C20H21N3O2S/c1-13(2)19(24)21-15-9-7-14(8-10-15)18-12-26-20(23-18)22-16-5-4-6-17(11-16)25-3/h4-13H,1-3H3,(H,21,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,26,21,20,22,9,11,8,12,24,14,2,10,7,19,23,13,4,16,6,18,17,5,25,15/E:(1,2)(7,8)(9,10)/rA:26nCCCCONCCCCCCCCSCNNCCCCCCOC/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;d13;s14;s15;s13d16;s16;s18;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21N3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.8236
Area:595.13
Solvation:-4.05461
Coulombic:-45.7356
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:367.466
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.78
LogP (Chemaxon):4.9

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