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Chemical ID: 7736110

COc1ccc(cc1)S(=O)(=O)Nc2cc(cnc2)C(=O)NCc3ccc4c(c3)OCO4

Chemical ID:

7736110

Name [?]:

None

SMILES [?]:

COc1ccc(cc1)S(=O)(=O)Nc2cc(cnc2)C(=O)NCc3ccc4c(c3)OCO4

InChi [?]:

InChI=1/C21H19N3O6S/c1-28-17-3-5-18(6-4-17)31(26,27)24-16-9-15(11-22-12-16)21(25)23-10-14-2-7-19-20(8-14)30-13-29-19/h2-9,11-12,24H,10,13H2,1H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,24,4,8,5,7,25,28,14,22,16,18,30,23,15,13,3,6,26,27,19,17,21,12,20,10,11,2,31,29,9/E:(3,4)(5,6)(26,27)/CRV:31.6/rA:31nCOCCCCCCSOONCCCCNCCONCCCCCCCOCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;d9;s9;s12;s13;d14;s15;d16;d13s17;s15;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s27;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₉N₃O₆S
All Atoms:	50
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	10.1228
Area:	656.865
Solvation:	-6.29879
Coulombic:	-61.0601

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.25
LogP (Chemaxon):	None

Name Annotations

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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