ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7658710

CCn1cc(c(n1)C)c2cc(c3ccccc3n2)C(=O)Nc4nc5ccccc5n4CCN(CC)CC

Chemical ID:

7658710

Name [?]:

None

SMILES [?]:

CCn1cc(c(n1)C)c2cc(c3ccccc3n2)C(=O)Nc4nc5ccccc5n4CCN(CC)CC

InChi [?]:

InChI=1/C29H33N7O/c1-5-34(6-2)16-17-36-27-15-11-10-14-25(27)31-29(36)32-28(37)22-18-26(23-19-35(7-3)33-20(23)4)30-24-13-9-8-12-21(22)24/h8-15,18-19H,5-7,16-17H2,1-4H3,(H,31,32,37)

InChi Info:

AuxInfo=1/1/N:35,37,1,8,34,36,2,14,15,26,27,13,16,25,28,32,31,10,4,6,12,11,5,17,24,9,29,19,22,18,23,21,7,33,3,30,20/E:(1,2)(5,6)/rA:37nCCNCCCNCCCCCCCCCCNCONCNCCCCCCNCCNCCCC/rB:s1;s2;s3;d4;s5;s3d6;s6;s5;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;s11;d19;s19;s21;d22;s23;s24;d25;s26;d27;d24s28;s22s29;s30;s31;s32;s33;s34;s33;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₃N₇O
All Atoms:	70
Heavy Atoms:	37
Chiral Atoms:	None

ZAP Information [?]

Total:	13.4235
Area:	729.981
Solvation:	-4.82603
Coulombic:	-48.0438

Bond Count [?]

All:	41
Single:	29
Double:	12
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.97
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