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Chemical ID: 6767816

CCN(c1ccccc1)S(=O)(=O)c2ccc3c(c2)c(c(cn3)C(=O)NCc4ccccc4OC)O

Chemical ID:

6767816

Name [?]:

6-(ethyl-phenyl-sulfamoyl)-4-hydroxy-N-[(2-methoxyphenyl)methyl]quinoline-3-carboxamide

SMILES [?]:

CCN(c1ccccc1)S(=O)(=O)c2ccc3c(c2)c(c(cn3)C(=O)NCc4ccccc4OC)O

InChi [?]:

InChI=1/C26H25N3O5S/c1-3-29(19-10-5-4-6-11-19)35(32,33)20-13-14-23-21(15-20)25(30)22(17-27-23)26(31)28-16-18-9-7-8-12-24(18)34-2/h4-15,17H,3,16H2,1-2H3,(H,27,30)(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,34,2,7,6,8,29,30,28,5,9,31,14,15,18,26,21,27,4,13,17,20,16,32,19,23,22,25,3,35,24,11,12,33,10/E:(5,6)(10,11)(32,33)/CRV:35.6/rA:35cCCNCCCCCCSOOCCCCCCCCCNCONCCCCCCCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;d10;s10;s13;d14;s15;s16;d13s17;d17;s19;d20;d16s21;s20;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;s32;s33;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅N₃O₅S
All Atoms:	60
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	11.5766
Area:	703.582
Solvation:	-6.01295
Coulombic:	-57.6705

Bond Count [?]

All:	38
Single:	24
Double:	14
Rotors:	9
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	491.56
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.86
LogP (Chemaxon):	4.07

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

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Chemical Mix	Source	External ID	Descriptor	Value