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Chemical ID: 6033688

CCCCNC(=O)Cc1csc(n1)NC(=O)CN(CCOC)C(=O)c2ccc(cc2Cl)Cl

Chemical ID:

6033688

Name [?]:

N-[[4-(butylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-2,4-dichloro-N-(2-methoxyethyl)benzamide

SMILES [?]:

CCCCNC(=O)Cc1csc(n1)NC(=O)CN(CCOC)C(=O)c2ccc(cc2Cl)Cl

InChi [?]:

InChI=1/C21H26Cl2N4O4S/c1-3-4-7-24-18(28)11-15-13-32-21(25-15)26-19(29)12-27(8-9-31-2)20(30)16-6-5-14(22)10-17(16)23/h5-6,10,13H,3-4,7-9,11-12H2,1-2H3,(H,24,28)(H,25,26,29)

InChi Info:

AuxInfo=1/1/N:1,22,2,3,27,26,4,19,20,29,8,17,10,28,9,25,30,6,15,23,12,32,31,5,13,14,18,7,16,24,21,11/rA:32nCCCCNCOCCCSCNNCOCNCCOCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;s20;s21;s18;d23;s23;s25;d26;s27;d28;d25s29;s30;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₆Cl₂N₄O₄S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5101
Area:	751.621
Solvation:	-8.28045
Coulombic:	-68.2311

Bond Count [?]

All:	33
Single:	25
Double:	8
Rotors:	15
Chiral:	0
Rigid Segments:	10

Chemical Properties

Molecular Weight:	501.427
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	2.82
LogP (Chemaxon):	3.02

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