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Chemical ID: 6007092

Cc1csc(n1)NC(=O)CN(CCN2CCOCC2)C(=O)c3ccc(cc3Cl)Cl

Chemical ID:

6007092

Name [?]:

2,4-dichloro-N-[(4-methylthiazol-2-yl)carbamoylmethyl]-N-(2-morpholinoethyl)benzamide

SMILES [?]:

Cc1csc(n1)NC(=O)CN(CCN2CCOCC2)C(=O)c3ccc(cc3Cl)Cl

InChi [?]:

InChI=1/C19H22Cl2N4O3S/c1-13-12-29-19(22-13)23-17(26)11-25(5-4-24-6-8-28-9-7-24)18(27)15-3-2-14(20)10-16(15)21/h2-3,10,12H,4-9,11H2,1H3,(H,22,23,26)

InChi Info:

AuxInfo=1/1/N:1,24,23,13,12,15,19,16,18,26,10,3,2,25,22,27,8,20,5,29,28,6,7,14,11,9,21,17,4/E:(6,7)(8,9)/rA:29nCCCSCNNCOCNCCNCCOCCCOCCCCCCClCl/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s11;d20;s20;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₂Cl₂N₄O₃S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1429
Area:	666.609
Solvation:	-5.52233
Coulombic:	-55.7453

Bond Count [?]

All:	31
Single:	24
Double:	7
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	457.375
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.13
LogP (Chemaxon):	2.38

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

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Chemical Mix	Source	External ID	Descriptor	Value