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Chemical ID: 7367062

c1cc(ccc1OCC(=O)N2CCCC2)S(=O)(=O)c3ccc(cc3)OCC(=O)N4CCCC4

Chemical ID:

7367062

Name [?]:

1-pyrrolidin-1-yl-2-[4-[4-(pyrrolidin-1-ylcarbonylmethoxy)phenyl]sulfonylphenoxy]-ethanone

SMILES [?]:

c1cc(ccc1OCC(=O)N2CCCC2)S(=O)(=O)c3ccc(cc3)OCC(=O)N4CCCC4

InChi [?]:

InChI=1/C24H28N2O6S/c27-23(25-13-1-2-14-25)17-31-19-5-9-21(10-6-19)33(29,30)22-11-7-20(8-12-22)32-18-24(28)26-15-3-4-16-26/h5-12H,1-4,13-18H2

InChi Info:

AuxInfo=1/0/N:13,14,31,32,1,5,21,23,2,4,20,24,12,15,30,33,8,26,6,22,3,19,9,27,11,29,10,28,17,18,7,25,16/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14,15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)/CRV:33.6/rA:33nCCCCCCOCCONCCCCSOOCCCCCCOCCONCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;s13;s11s14;s3;d16;d16;s16;s19;d20;s21;d22;d19s23;s22;s25;s26;d27;s27;s29;s30;s31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₈N₂O₆S
All Atoms:	61
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	9.79663
Area:	726.646
Solvation:	-8.36952
Coulombic:	-50.2552

Bond Count [?]

All:	36
Single:	26
Double:	10
Rotors:	10
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	472.555
H-Bond Donors:	0
H-Bond Acceptors:	8
XLogP:	2.47
LogP (Chemaxon):	1.36

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