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Chemical ID: 7710914

CC1=C(C(n2c(nc(n2)CCCO)N1)c3ccc(cc3)Cl)C(=O)Nc4ccccc4OC

Chemical ID:

7710914

Name [?]:

None

SMILES [?]:

CC1=C(C(n2c(nc(n2)CCCO)N1)c3ccc(cc3)Cl)C(=O)Nc4ccccc4OC

InChi [?]:

InChI=1/C23H24ClN5O3/c1-14-20(22(31)26-17-6-3-4-7-18(17)32-2)21(15-9-11-16(24)12-10-15)29-23(25-14)27-19(28-29)8-5-13-30/h3-4,6-7,9-12,21,30H,5,8,13H2,1-2H3,(H,26,31)(H,25,27,28)

InChi Info:

AuxInfo=1/1/N:1,32,27,28,11,26,29,10,16,20,17,19,12,2,15,18,25,30,8,3,4,22,6,21,14,24,7,9,5,13,23,31/E:(9,10)(11,12)/rA:32cCCCCNCNCNCCCONCCCCCCClCONCCCCCCOC/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s8;s10;s11;s12;s2s6;s4;s15;d16;s17;d18;d15s19;s18;s3;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₄ClN₅O₃
All Atoms:	56
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	11.8961
Area:	676.52
Solvation:	-5.01689
Coulombic:	-70.044

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.42
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