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Chemical ID: 7736113

COc1ccc(cc1OC)S(=O)(=O)Nc2cc(cnc2)C(=O)Nc3ccccc3

Chemical ID:

7736113

Name [?]:

None

SMILES [?]:

COc1ccc(cc1OC)S(=O)(=O)Nc2cc(cnc2)C(=O)Nc3ccccc3

InChi [?]:

InChI=1/C20H19N3O5S/c1-27-18-9-8-17(11-19(18)28-2)29(25,26)23-16-10-14(12-21-13-16)20(24)22-15-6-4-3-5-7-15/h3-13,23H,1-2H3,(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,10,27,26,28,25,29,5,4,16,7,18,20,17,24,15,6,3,8,21,19,23,14,22,12,13,2,9,11/E:(4,5)(6,7)(25,26)/CRV:29.6/rA:29nCOCCCCCCOCSOONCCCCNCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;d11;s11;s14;s15;d16;s17;d18;d15s19;s17;d21;s21;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₉N₃O₅S
All Atoms:	48
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	8.54523
Area:	609.453
Solvation:	-6.69108
Coulombic:	-50.8562

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.0
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

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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