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Chemical ID: 6030124

CC(C)CN(CC(=O)Nc1nc(cs1)CC(=O)NC2CCCCC2)C(=O)c3ccc(cc3)Cl

Chemical ID:

6030124

Name [?]:

4-chloro-N-[[4-(cyclohexylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-N-isobutyl-benzamide

SMILES [?]:

CC(C)CN(CC(=O)Nc1nc(cs1)CC(=O)NC2CCCCC2)C(=O)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C24H31ClN4O3S/c1-16(2)13-29(23(32)17-8-10-18(25)11-9-17)14-22(31)28-24-27-20(15-33-24)12-21(30)26-19-6-4-3-5-7-19/h8-11,15-16,19H,3-7,12-14H2,1-2H3,(H,26,30)(H,27,28,31)

InChi Info:

AuxInfo=1/1/N:1,3,22,21,23,20,24,28,32,29,31,15,4,6,13,2,27,30,19,12,16,7,25,10,33,18,11,9,5,17,8,26,14/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:33nCCCCNCCONCNCCSCCONCCCCCCCOCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s16;s18;s19;s20;s21;s22;s19s23;s5;d25;s25;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₃₁ClN₄O₃S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	13.1591
Area:	743.915
Solvation:	-5.43875
Coulombic:	-63.3392

Bond Count [?]

All:	35
Single:	27
Double:	8
Rotors:	12
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	491.047
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	3.95
LogP (Chemaxon):	4.26

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