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Chemical ID: 5615493

Cc1ccc2c(cc(=O)oc2c1C)CN3C(=O)c4ccccc4S3(=O)=O

Chemical ID:

5615493

Name [?]:

8-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]-7,7-dioxo-7$l^{6}-thia-8-azabicyclo[4.3.0]nona-2,4,10-trien-9-one

SMILES [?]:

Cc1ccc2c(cc(=O)oc2c1C)CN3C(=O)c4ccccc4S3(=O)=O

InChi [?]:

InChI=1/C19H15NO5S/c1-11-7-8-14-13(9-17(21)25-18(14)12(11)2)10-20-19(22)15-5-3-4-6-16(15)26(20,23)24/h3-9H,10H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,13,20,21,19,22,3,4,7,14,2,12,6,5,18,23,8,11,16,15,9,17,25,26,10,24/E:(23,24)/CRV:26.6/rA:26nCCCCCCCCOOCCCCNCOCCCCCCSOO/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d5s10;d2s11;s12;s6;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s15s23;d24;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₅NO₅S
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	9.78398
Area:	533.527
Solvation:	-3.55419
Coulombic:	-36.3875

Bond Count [?]

All:	29
Single:	18
Double:	11
Rotors:	2
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	369.392
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	2.64
LogP (Chemaxon):	3.39

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

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

Chemical Mix	Source	External ID	Descriptor	Value