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Chemical ID: 6153158

CCN1C(=O)CC(SC1=Nc2ccc(c(c2)Cl)Cl)C(=O)Nc3ccc(cc3)OCC

Chemical ID:

6153158

Name [?]:

2-(3,4-dichlorophenyl)imino-N-(4-ethoxyphenyl)-3-ethyl-4-oxo-1,3-thiazinane-6-carboxamide

SMILES [?]:

CCN1C(=O)CC(SC1=Nc2ccc(c(c2)Cl)Cl)C(=O)Nc3ccc(cc3)OCC

InChi [?]:

InChI=1/C21H21Cl2N3O3S/c1-3-26-19(27)12-18(20(28)24-13-5-8-15(9-6-13)29-4-2)30-21(26)25-14-7-10-16(22)17(23)11-14/h5-11,18H,3-4,12H2,1-2H3,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,30,2,29,23,27,12,24,26,13,16,6,22,11,25,14,15,7,4,19,9,18,17,21,10,3,5,20,28,8/E:(5,6)(8,9)/rA:30cCCNCOCCSCNCCCCCCClClCONCCCCCCOCC/rB:s1;s2;s3;d4;s4;s6;s7;s3s8;w9;s10;s11;d12;s13;d14;d11s15;s15;s14;s7;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;s28;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₁Cl₂N₃O₃S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	12.2315
Area:	677.744
Solvation:	-4.7121
Coulombic:	-49.1836

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	466.381
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.86
LogP (Chemaxon):	5.34

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