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Chemical ID: 7722698

CCOC(=O)c1ccc(cc1)CN2C(=O)C(=Cc3ccc(cc3)OC)SC2=O

Chemical ID:

7722698

Name [?]:

None

SMILES [?]:

CCOC(=O)c1ccc(cc1)CN2C(=O)C(=Cc3ccc(cc3)OC)SC2=O

InChi [?]:

InChI=1/C21H19NO5S/c1-3-27-20(24)16-8-4-15(5-9-16)13-22-19(23)18(28-21(22)25)12-14-6-10-17(26-2)11-7-14/h4-12H,3,13H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,25,2,8,10,19,23,7,11,20,22,17,12,18,9,6,21,16,14,4,27,13,15,5,28,24,3,26/E:(4,5)(6,7)(8,9)(10,11)/rA:28nCCOCOCCCCCCCNCOCCCCCCCCOCSCO/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s16;s13s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₉NO₅S
All Atoms:	47
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	11.2022
Area:	619.854
Solvation:	-4.29416
Coulombic:	-56.828

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.56
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