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Chemical ID: 6219844

Chemical ID:

6219844

Name [?]:

4-isopropoxy-N-[4-(2-pyridyl)thiazol-2-yl]-benzamide

SMILES [?]:

CC(C)Oc1ccc(cc1)C(=O)Nc2nc(cs2)c3ccccn3

InChi [?]:

InChI=1/C18H17N3O2S/c1-12(2)23-14-8-6-13(7-9-14)17(22)21-18-20-16(11-24-18)15-5-3-4-10-19-15/h3-12H,1-2H3,(H,20,21,22)

InChi Info:

AuxInfo=1/1/N:1,3,21,22,20,7,9,6,10,23,17,2,8,5,19,16,11,14,24,15,13,12,4,18/E:(1,2)(6,7)(8,9)/rA:24nCCCOCCCCCCCONCNCCSCCCCCN/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₇N₃O₂S
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4203
Area:	555.769
Solvation:	-3.47393
Coulombic:	-40.9671

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	339.413
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	3.46
LogP (Chemaxon):	4.04

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

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Chemical Mix	Source	External ID	Descriptor	Value