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Chemical ID: 7729496

Cc1ccc(cc1Cl)n2c3c(c(=O)n(cn3)CC(=O)NCCc4ccc(c(c4)OC)OC)nn2

Chemical ID:

7729496

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1Cl)n2c3c(c(=O)n(cn3)CC(=O)NCCc4ccc(c(c4)OC)OC)nn2

InChi [?]:

InChI=1/C23H23ClN6O4/c1-14-4-6-16(11-17(14)24)30-22-21(27-28-30)23(32)29(13-26-22)12-20(31)25-9-8-15-5-7-18(33-2)19(10-15)34-3/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,25,31)

InChi Info:

AuxInfo=1/1/N:1,32,30,3,24,4,25,22,21,28,6,17,15,2,23,5,7,26,27,18,11,10,12,8,20,16,33,34,14,9,19,13,31,29/rA:34nCCCCCCCClNCCCONCNCCONCCCCCCCCOCOCNN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;s22;s23;d24;s25;d26;d23s27;s27;s29;s26;s31;s11;s9d33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₃ClN₆O₄
All Atoms:	57
Heavy Atoms:	34
Chiral Atoms:	None

ZAP Information [?]

Total:	10.906
Area:	735.387
Solvation:	-7.47863
Coulombic:	-62.5734

Bond Count [?]

All:	37
Single:	26
Double:	11
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.92
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