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Chemical ID: 7499282

c1ccc(cc1)OCCOc2ccc(cc2)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4

Chemical ID:

7499282

Name [?]:

N-(4-morpholinosulfonylphenyl)-4-(2-phenoxyethoxy)benzamide

SMILES [?]:

c1ccc(cc1)OCCOc2ccc(cc2)C(=O)Nc3ccc(cc3)S(=O)(=O)N4CCOCC4

InChi [?]:

InChI=1/C25H26N2O6S/c28-25(20-6-10-23(11-7-20)33-19-18-32-22-4-2-1-3-5-22)26-21-8-12-24(13-9-21)34(29,30)27-14-16-31-17-15-27/h1-13H,14-19H2,(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,13,15,21,25,12,16,22,24,30,34,31,33,8,9,14,20,4,11,23,17,19,29,18,27,28,32,7,10,26/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(29,30)/CRV:34.6/rA:34nCCCCCCOCCOCCCCCCCONCCCCCCSOONCCOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;d26;d26;s26;s29;s30;s31;s32;s29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆N₂O₆S
All Atoms:	60
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8433
Area:	730.251
Solvation:	-7.41294
Coulombic:	-52.1397

Bond Count [?]

All:	37
Single:	25
Double:	12
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	482.55
H-Bond Donors:	1
H-Bond Acceptors:	8
XLogP:	3.05
LogP (Chemaxon):	3.25

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