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Chemical ID: 7724104

Cc1cc(c2c(c1)n(c(=NC(=O)c3cc4ccccc4oc3=O)s2)CC(=O)OC)C

Chemical ID:

7724104

Name [?]:

None

SMILES [?]:

Cc1cc(c2c(c1)n(c(=NC(=O)c3cc4ccccc4oc3=O)s2)CC(=O)OC)C

InChi [?]:

InChI=1/C22H18N2O5S/c1-12-8-13(2)19-16(9-12)24(11-18(25)28-3)22(30-19)23-20(26)15-10-14-6-4-5-7-17(14)29-21(15)27/h4-10H,11H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,30,29,17,18,16,19,3,7,14,25,2,4,15,13,6,20,26,5,11,22,9,10,8,27,12,23,28,21,24/rA:30nCCCCCCCNCNCOCCCCCCCCOCOSCCOOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;w9;s10;d11;s11;d13;s14;s15;d16;s17;d18;d15s19;s20;s13s21;d22;s5s9;s8;s25;d26;s26;s28;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈N₂O₅S
All Atoms:	48
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	10.6673
Area:	626.66
Solvation:	-4.99924
Coulombic:	-60.4628

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.88
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