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Chemical ID: 7721224

Cc1c(nnn1c2ccc(cc2)Cl)C(=O)Nc3ccc(cc3)Oc4ccccc4

Chemical ID:

7721224

Name [?]:

None

SMILES [?]:

Cc1c(nnn1c2ccc(cc2)Cl)C(=O)Nc3ccc(cc3)Oc4ccccc4

InChi [?]:

InChI=1/C22H17ClN4O2/c1-15-21(25-26-27(15)18-11-7-16(23)8-12-18)22(28)24-17-9-13-20(14-10-17)29-19-5-3-2-4-6-19/h2-14H,1H3,(H,24,28)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,25,29,9,11,18,22,8,12,19,21,2,10,17,7,24,20,3,14,13,16,4,5,6,15,23/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29nCCCNNNCCCCCCClCONCCCCCCOCCCCCC/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s10;s3;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₇ClN₄O₂
All Atoms:	46
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	12.6572
Area:	625.369
Solvation:	-2.97704
Coulombic:	-36.509

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.79
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