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Chemical ID: 7710308

CC1=C(C(n2c(nc(n2)c3ccc(cc3)OC)N1)c4ccc(cc4)Cl)C(=O)Nc5cccnc5

Chemical ID:

7710308

Name [?]:

None

SMILES [?]:

CC1=C(C(n2c(nc(n2)c3ccc(cc3)OC)N1)c4ccc(cc4)Cl)C(=O)Nc5cccnc5

InChi [?]:

InChI=1/C25H21ClN6O2/c1-15-21(24(33)29-19-4-3-13-27-14-19)22(16-5-9-18(26)10-6-16)32-25(28-15)30-23(31-32)17-7-11-20(34-2)12-8-17/h3-14,22H,1-2H3,(H,29,33)(H,28,30,31)

InChi Info:

AuxInfo=1/1/N:1,17,31,30,20,24,11,15,21,23,12,14,32,34,2,19,10,22,29,13,3,4,8,26,6,25,33,18,28,7,9,5,27,16/E:(5,6)(7,8)(9,10)(11,12)/rA:34cCCCCNCNCNCCCCCCOCNCCCCCCClCONCCCCNC/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s2s6;s4;s19;d20;s21;d22;d19s23;s22;s3;d26;s26;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₁ClN₆O₂
All Atoms:	55
Heavy Atoms:	34
Chiral Atoms:	None

ZAP Information [?]

Total:	12.6079
Area:	688.438
Solvation:	-4.60303
Coulombic:	-58.8612

Bond Count [?]

All:	38
Single:	25
Double:	13
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.4
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