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Chemical ID: 7287247

c1ccc(cc1)CNC(=O)c2ccc(cc2)NC(=O)CC3C(=O)N=C(S3)N4CCCCC4

Chemical ID:

7287247

Name [?]:

N-benzyl-4-[2-[4-oxo-2-(1-piperidyl)thiazol-5-yl]acetyl]amino-benzamide

SMILES [?]:

c1ccc(cc1)CNC(=O)c2ccc(cc2)NC(=O)CC3C(=O)N=C(S3)N4CCCCC4

InChi [?]:

InChI=1/C24H26N4O3S/c29-21(15-20-23(31)27-24(32-20)28-13-5-2-6-14-28)26-19-11-9-18(10-12-19)22(30)25-16-17-7-3-1-4-8-17/h1,3-4,7-12,20H,2,5-6,13-16H2,(H,25,30)(H,26,29)

InChi Info:

AuxInfo=1/1/N:1,30,2,6,29,31,3,5,12,16,13,15,28,32,20,7,4,11,14,21,18,9,22,25,8,17,24,27,19,10,23,26/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:32cCCCCCCCNCOCCCCCCNCOCCCONCSNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;s21;d22;s22;d24;s21s25;s25;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₆N₄O₃S
All Atoms:	58
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	13.3732
Area:	707.029
Solvation:	-4.30252
Coulombic:	-64.8957

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	450.554
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	2.96
LogP (Chemaxon):	3.41

Name Annotations

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

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