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Chemical ID: 7357563

c1cc(ccc1C(=O)Nc2ccc(cc2)N3CCOCC3)NS(=O)(=O)c4ccc5c(c4)OCCO5

Chemical ID:

7357563

Name [?]:

4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylsulfonylamino)-N-(4-morpholinophenyl)-benzamide

SMILES [?]:

c1cc(ccc1C(=O)Nc2ccc(cc2)N3CCOCC3)NS(=O)(=O)c4ccc5c(c4)OCCO5

InChi [?]:

InChI=1/C25H25N3O6S/c29-25(26-19-5-7-21(8-6-19)28-11-13-32-14-12-28)18-1-3-20(4-2-18)27-35(30,31)22-9-10-23-24(17-22)34-16-15-33-23/h1-10,17,27H,11-16H2,(H,26,29)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,11,15,12,14,27,28,17,21,18,20,34,33,31,6,10,3,13,26,29,30,7,9,22,16,8,24,25,19,35,32,23/E:(1,2)(3,4)(5,6)(7,8)(11,12)(13,14)(30,31)/CRV:35.6/rA:35nCCCCCCCONCCCCCCNCCOCCNSOOCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s18;s19;s16s20;s3;s22;d23;d23;s23;s26;d27;s28;d29;d26s30;s30;s32;s33;s29s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₅N₃O₆S
All Atoms:	60
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0157
Area:	708.019
Solvation:	-6.6848
Coulombic:	-63.1749

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	495.549
H-Bond Donors:	2
H-Bond Acceptors:	9
XLogP:	3.11
LogP (Chemaxon):	2.9

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