Chemical ID: 5940339

CCc1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)NCC=C
Chemical ID:
5940339
Name [?]:
N-[4-(2-allylaminothiazol-4-yl)phenyl]-4-ethyl-benzamide
SMILES [?]:
CCc1ccc(cc1)C(=O)Nc2ccc(cc2)c3csc(n3)NCC=C
InChi [?]:
InChI=1/C21H21N3OS/c1-3-13-22-21-24-19(14-26-21)16-9-11-18(12-10-16)23-20(25)17-7-5-15(4-2)6-8-17/h3,5-12,14H,1,4,13H2,2H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:26,1,25,2,4,8,5,7,14,16,13,17,24,19,3,15,6,12,18,9,21,23,11,22,10,20/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCCCONCCCCCCCCSCNNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;d18;s19;s20;s18d21;s21;s23;s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21N3OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.8821
Area:619.281
Solvation:-2.59994
Coulombic:-43.0427
Bond Count [?]
All:28
Single:18
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:363.477
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:4.99
LogP (Chemaxon):5.62

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