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Chemical ID: 7736016

COc1ccc(cc1OC)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccccc3

Chemical ID:

7736016

Name [?]:

None

SMILES [?]:

COc1ccc(cc1OC)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccccc3

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,10,27,26,28,25,29,5,4,15,7,19,17,14,6,16,24,3,8,12,18,11,20,13,22,23,2,9,21/E:(4,5)(6,7)(25,26)/CRV:29.6/rA:29nCOCCCCCCOCNCOCCCCNCNSOOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;d15;s16;d17;d14s18;s16;s20;d21;d21;s21;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	8.74532
Area:	619.73
Solvation:	-6.74794
Coulombic:	-51.4339

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

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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