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Chemical ID: 6767815

CCN(c1ccccc1)S(=O)(=O)c2ccc3c(c2)c(=O)c(c[nH]3)C(=O)NCc4ccccc4OC

Chemical ID:

6767815

Name [?]:

6-(ethyl-phenyl-sulfamoyl)-N-[(2-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide

SMILES [?]:

CCN(c1ccccc1)S(=O)(=O)c2ccc3c(c2)c(=O)c(c[nH]3)C(=O)NCc4ccccc4OC

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:1,35,2,7,6,8,30,31,29,5,9,32,14,15,18,27,22,28,4,13,17,21,16,33,19,24,23,26,3,20,25,11,12,34,10/E:(5,6)(10,11)(32,33)/CRV:35.6/rA:35cCCNCCCCCCSOOCCCCCCCOCCNCONCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;d19;s19;d21;s16s22;s21;d24;s24;s26;s27;s28;d29;s30;d31;d28s32;s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	11.3998
Area:	706.563
Solvation:	-6.26428
Coulombic:	-55.5229

Bond Count [?]

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

Chemical Properties

Molecular Weight:	491.56
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	4.42
LogP (Chemaxon):	3.57

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value