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Chemical ID: 6216718

CCCOc1ccc(cc1)c2csc(n2)NC(=O)c3ccc(cc3)C(C)(C)C

Chemical ID:

6216718

Name [?]:

N-[4-(4-propoxyphenyl)thiazol-2-yl]-4-tert-butyl-benzamide

SMILES [?]:

CCCOc1ccc(cc1)c2csc(n2)NC(=O)c3ccc(cc3)C(C)(C)C

InChi [?]:

InChI=1/C23H26N2O2S/c1-5-14-27-19-12-8-16(9-13-19)20-15-28-22(24-20)25-21(26)17-6-10-18(11-7-17)23(2,3)4/h6-13,15H,5,14H2,1-4H3,(H,24,25,26)

InChi Info:

AuxInfo=1/1/N:1,26,27,28,2,20,24,7,9,21,23,6,10,3,12,8,19,22,5,11,17,14,25,15,16,18,4,13/E:(2,3,4)(6,7)(8,9)(10,11)(12,13)/rA:28nCCCOCCCCCCCCSCNNCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₆N₂O₂S
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8431
Area:	650.212
Solvation:	-3.41217
Coulombic:	-37.6973

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	394.531
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	6.34
LogP (Chemaxon):	6.63

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value