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Chemical ID: 6747808

Cc1ccc(cc1S(=O)(=O)[N-]c2ccc(cc2)OC)C(=O)Nc3ccc(cc3)OC

Chemical ID:

6747808

Name [?]:

(4-methoxyphenyl)-[5-[(4-methoxyphenyl)carbamoyl]-2-methyl-phenyl]sulfonyl-azanide

SMILES [?]:

Cc1ccc(cc1S(=O)(=O)[N-]c2ccc(cc2)OC)C(=O)Nc3ccc(cc3)OC

InChi [?]:

InChI=1/C22H21N2O5S/c1-15-4-5-16(22(25)23-17-6-10-19(28-2)11-7-17)14-21(15)30(26,27)24-18-8-12-20(29-3)13-9-18/h4-14H,1-3H3,(H,23,25)/q-1

InChi Info:

AuxInfo=1/1/N:1,30,19,3,4,24,28,13,17,25,27,14,16,6,2,5,23,12,26,15,7,20,22,11,21,9,10,29,18,8/E:(6,7)(8,9)(10,11)(12,13)(26,27)/CRV:24-1,30.6/rA:30nCCCCCCCSOON-CCCCCCOCCONCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;s15;s18;s5;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₁N₂O₅S-
All Atoms:	51
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	-20.5557
Area:	643.791
Solvation:	-36.6505
Coulombic:	-10.6462

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	425.479
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	3.58
LogP (Chemaxon):	3.63

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