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Chemical ID: 7708333

CCOC(=O)c1c(cc(s1)NC(=O)COCC(=O)Nc2cc(c(s2)C(=O)OCC)C)C

Chemical ID:

7708333

Name [?]:

None

SMILES [?]:

CCOC(=O)c1c(cc(s1)NC(=O)COCC(=O)Nc2cc(c(s2)C(=O)OCC)C)C

InChi [?]:

InChI=1/C20H24N2O7S2/c1-5-28-19(25)17-11(3)7-15(30-17)21-13(23)9-27-10-14(24)22-16-8-12(4)18(31-16)20(26)29-6-2/h7-8H,5-6,9-10H2,1-4H3,(H,21,23)(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,29,31,30,2,28,8,21,14,16,7,22,12,17,9,20,6,23,4,25,11,19,13,18,5,26,15,3,27,10,24/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)(28,29)(30,31)/gE:(1,2)/rA:31nCCOCOCCCCSNCOCOCCONCCCCSCOOCCCC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s6s9;s9;s11;d12;s12;s14;s15;s16;d17;s17;s19;d20;s21;d22;s20s23;s23;d25;s25;s27;s28;s22;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₄N₂O₇S₂
All Atoms:	55
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	8.90828
Area:	729.324
Solvation:	-9.32482
Coulombic:	-84.9411

Bond Count [?]

All:	32
Single:	24
Double:	8
Rotors:	14
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	0.54
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