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Chemical ID: 7736123

c1cc2c(cc1S(=O)(=O)Nc3cc(cnc3)C(=O)NC4CCCCC4)OCCO2

Chemical ID:

7736123

Name [?]:

None

SMILES [?]:

c1cc2c(cc1S(=O)(=O)Nc3cc(cnc3)C(=O)NC4CCCCC4)OCCO2

InChi [?]:

InChI=1/C20H23N3O5S/c24-20(22-15-4-2-1-3-5-15)14-10-16(13-21-12-14)23-29(25,26)17-6-7-18-19(11-17)28-9-8-27-18/h6-7,10-13,15,23H,1-5,8-9H2,(H,22,24)

InChi Info:

AuxInfo=1/1/N:23,22,24,21,25,1,2,28,27,12,5,14,16,13,20,11,6,3,4,17,15,19,10,18,8,9,29,26,7/E:(2,3)(4,5)(25,26)/CRV:29.6/rA:29nCCCCCCSOONCCCCNCCONCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;d12;s13;d14;d11s15;s13;d17;s17;s19;s20;s21;s22;s23;s20s24;s4;s26;s27;s3s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₃N₃O₅S
All Atoms:	52
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	10.7756
Area:	617.022
Solvation:	-4.64992
Coulombic:	-53.6936

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.32
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