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Chemical ID: 5382012

CCOc1ccc(cc1OC)C=NNC(=O)CN(C)S(=O)(=O)c2cc(ccc2OC)OC

Chemical ID:

5382012

Name [?]:

2-[(2,5-dimethoxyphenyl)sulfonyl-methyl-amino]-N-[(4-ethoxy-3-methoxy-phenyl)methyleneamino]acetamide

SMILES [?]:

CCOc1ccc(cc1OC)C=NNC(=O)CN(C)S(=O)(=O)c2cc(ccc2OC)OC

InChi [?]:

InChI=1/C21H27N3O7S/c1-6-31-17-9-7-15(11-19(17)30-5)13-22-23-21(25)14-24(2)32(26,27)20-12-16(28-3)8-10-18(20)29-4/h7-13H,6,14H2,1-5H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,19,32,30,11,2,6,26,5,27,8,24,12,17,7,25,4,28,9,23,15,13,14,18,16,21,22,31,29,10,3,20/E:(26,27)/CRV:32.6/rA:32cCCOCCCCCCOCCNNCOCNCSOOCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;s14;d15;s15;s17;s18;s18;d20;d20;s20;s23;d24;s25;d26;d23s27;s28;s29;s25;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₇N₃O₇S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	6.72406
Area:	662.269
Solvation:	-9.83267
Coulombic:	-51.8335

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	12
Chiral:	1
Rigid Segments:	10

Chemical Properties

Molecular Weight:	465.521
H-Bond Donors:	1
H-Bond Acceptors:	10
XLogP:	2.66
LogP (Chemaxon):	1.73

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