Chemical ID: 5938761

CC(C)(C)NC(=O)Nc1cccc(c1)c2csc(n2)Nc3ccccc3
Chemical ID:
5938761
Name [?]:
3-[3-(2-anilinothiazol-4-yl)phenyl]-1-tert-butyl-urea
SMILES [?]:
CC(C)(C)NC(=O)Nc1cccc(c1)c2csc(n2)Nc3ccccc3
InChi [?]:
InChI=1/C20H22N4OS/c1-20(2,3)24-18(25)21-16-11-7-8-14(12-16)17-13-26-19(23-17)22-15-9-5-4-6-10-15/h4-13H,1-3H3,(H,22,23)(H2,21,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,4,24,23,25,11,12,22,26,10,14,16,13,21,9,15,6,18,2,8,20,19,5,7,17/E:(1,2,3)(5,6)(9,10)/rA:26nCCCCNCONCCCCCCCCSCNNCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s16;s17;s15d18;s18;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N4OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.0698
Area:588.459
Solvation:-2.64166
Coulombic:-53.7314
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:366.481
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:4.26
LogP (Chemaxon):4.78

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Descriptor Annotations

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