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Chemical ID: 6152855

CCCCCCOc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)Cl)S2)CC

Chemical ID:

6152855

Name [?]:

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

SMILES [?]:

CCCCCCOc1ccc(cc1)NC(=O)C2CC(=O)N(C(=Nc3ccc(cc3)Cl)S2)CC

InChi [?]:

InChI=1/C25H30ClN3O3S/c1-3-5-6-7-16-32-21-14-12-19(13-15-21)27-24(31)22-17-23(30)29(4-2)25(33-22)28-20-10-8-18(26)9-11-20/h8-15,22H,3-7,16-17H2,1-2H3,(H,27,31)

InChi Info:

AuxInfo=1/1/N:1,33,2,32,3,4,5,26,28,25,29,10,12,9,13,6,18,27,11,24,8,17,19,15,22,30,14,23,21,20,16,7,31/E:(8,9)(10,11)(12,13)(14,15)/rA:33cCCCCCCOCCCCCCNCOCCCONCNCCCCCCClSCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;d19;s19;s21;w22;s23;s24;d25;s26;d27;d24s28;s27;s17s22;s21;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₃₀ClN₃O₃S
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	1

ZAP Information [?]

Total:	14.3039
Area:	755.503
Solvation:	-4.58373
Coulombic:	-50.8238

Bond Count [?]

All:	35
Single:	26
Double:	9
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	488.043
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.31
LogP (Chemaxon):	6.48

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