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Chemical ID: 7729491

Cc1ccc(cc1Cl)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCCO5)nn2

Chemical ID:

7729491

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1Cl)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCCO5)nn2

InChi [?]:

InChI=1/C21H17ClN6O4/c1-12-2-4-14(9-15(12)22)28-20-19(25-26-28)21(30)27(11-23-20)10-18(29)24-13-3-5-16-17(8-13)32-7-6-31-16/h2-5,8-9,11H,6-7,10H2,1H3,(H,24,29)

InChi Info:

AuxInfo=1/1/N:1,3,22,4,23,29,28,26,6,17,15,2,21,5,7,24,25,18,11,10,12,8,16,20,31,32,14,9,19,13,30,27/rA:32nCCCCCCCClNCCCONCNCCONCCCCCCOCCONN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s27;s28;s24s29;s11;s9d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₇ClN₆O₄
All Atoms:	49
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	10.9517
Area:	655.396
Solvation:	-5.43317
Coulombic:	-63.6793

Bond Count [?]

All:	36
Single:	25
Double:	11
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.67
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