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Chemical ID: 7736094

COc1ccc(cc1)S(=O)(=O)Nc2cc(cnc2)C(=O)Nc3ccc(c(c3)OC)OC

Chemical ID:

7736094

Name [?]:

None

SMILES [?]:

COc1ccc(cc1)S(=O)(=O)Nc2cc(cnc2)C(=O)Nc3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C21H21N3O6S/c1-28-17-5-7-18(8-6-17)31(26,27)24-16-10-14(12-22-13-16)21(25)23-15-4-9-19(29-2)20(11-15)30-3/h4-13,24H,1-3H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,31,29,23,4,8,5,7,24,14,27,16,18,15,22,13,3,6,25,26,19,17,21,12,20,10,11,2,30,28,9/E:(5,6)(7,8)(26,27)/CRV:31.6/rA:31nCOCCCCCCSOONCCCCNCCONCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s15;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₁N₃O₆S
All Atoms:	52
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	8.3022
Area:	659.712
Solvation:	-8.1906
Coulombic:	-57.1912

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.91
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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