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Chemical ID: 7498412

CC(C)Oc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCOCC3

Chemical ID:

7498412

Name [?]:

4-isopropoxy-N-(4-morpholinosulfonylphenyl)-benzamide

SMILES [?]:

CC(C)Oc1ccc(cc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N3CCOCC3

InChi [?]:

InChI=1/C20H24N2O5S/c1-15(2)27-18-7-3-16(4-8-18)20(23)21-17-5-9-19(10-6-17)28(24,25)22-11-13-26-14-12-22/h3-10,15H,11-14H2,1-2H3,(H,21,23)

InChi Info:

AuxInfo=1/1/N:1,3,7,9,15,19,6,10,16,18,24,28,25,27,2,8,14,5,17,11,13,23,12,21,22,26,4,20/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(24,25)/CRV:28.6/rA:28nCCCOCCCCCCCONCCCCCCSOONCCOCC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;d20;d20;s20;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₂O₅S
All Atoms:	52
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3243
Area:	619.997
Solvation:	-5.17561
Coulombic:	-44.5172

Bond Count [?]

All:	30
Single:	21
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	404.481
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	2.48
LogP (Chemaxon):	2.39

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