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Chemical ID: 6135940

CCNC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)Cl)S1)CCc3ccc(cc3)OC

Chemical ID:

6135940

Name [?]:

2-(4-chlorophenyl)imino-N-ethyl-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carboxamide

SMILES [?]:

CCNC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)Cl)S1)CCc3ccc(cc3)OC

InChi [?]:

InChI=1/C22H24ClN3O3S/c1-3-24-21(28)19-14-20(27)26(13-12-15-4-10-18(29-2)11-5-15)22(30-19)25-17-8-6-16(23)7-9-17/h4-11,19H,3,12-14H2,1-2H3,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,30,2,24,28,15,17,14,18,25,27,22,21,7,23,16,13,26,6,8,4,11,19,3,12,10,9,5,29,20/E:(4,5)(6,7)(8,9)(10,11)/rA:30cCCNCOCCCONCNCCCCCCClSCCCCCCCCOC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s6s11;s10;s21;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₄ClN₃O₃S
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	11.5521
Area:	656.362
Solvation:	-4.85696
Coulombic:	-50.5307

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	445.963
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.12
LogP (Chemaxon):	4.35

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