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Chemical ID: 7736099

CCOc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccc(cc3)OC

Chemical ID:

7736099

Name [?]:

None

SMILES [?]:

CCOc1ccc(cc1)NC(=O)c2cc(cnc2)NS(=O)(=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C21H21N3O5S/c1-3-29-19-6-4-16(5-7-19)23-21(25)15-12-17(14-22-13-15)24-30(26,27)20-10-8-18(28-2)9-11-20/h4-14,24H,3H2,1-2H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,30,2,6,8,5,9,25,27,24,28,14,18,16,13,7,15,26,4,23,11,17,10,19,12,21,22,29,3,20/E:(4,5)(6,7)(8,9)(10,11)(26,27)/CRV:30.6/rA:30nCCOCCCCCCNCOCCCCNCNSOOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s15;s19;d20;d20;s20;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₁N₃O₅S
All Atoms:	51
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	10.2336
Area:	651.194
Solvation:	-6.04625
Coulombic:	-51.2636

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.69
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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