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Chemical ID: 5939868

CCN(CC)c1nc(cs1)c2ccc(cc2)NC(=O)c3ccc(cc3)OC

Chemical ID:

5939868

Name [?]:

N-[4-(2-diethylaminothiazol-4-yl)phenyl]-4-methoxy-benzamide

SMILES [?]:

CCN(CC)c1nc(cs1)c2ccc(cc2)NC(=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C21H23N3O2S/c1-4-24(5-2)21-23-19(14-27-21)15-6-10-17(11-7-15)22-20(25)16-8-12-18(26-3)13-9-16/h6-14H,4-5H2,1-3H3,(H,22,25)

InChi Info:

AuxInfo=1/1/N:1,5,27,2,4,12,16,21,25,13,15,22,24,9,11,20,14,23,8,18,6,17,7,3,19,26,10/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:27nCCNCCCNCCSCCCCCCNCOCCCCCCOC/rB:s1;s2;s3;s4;s3;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₃N₃O₂S
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6241
Area:	621.498
Solvation:	-3.91339
Coulombic:	-42.6824

Bond Count [?]

All:	29
Single:	20
Double:	9
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	381.492
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.8
LogP (Chemaxon):	5.14

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