ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7710322

CC1=C(C(n2c(nc(n2)c3ccc(cc3)OC)N1)c4ccc(c(c4)OC)OC)C(=O)Nc5cccnc5

Chemical ID:

7710322

Name [?]:

None

SMILES [?]:

CC1=C(C(n2c(nc(n2)c3ccc(cc3)OC)N1)c4ccc(c(c4)OC)OC)C(=O)Nc5cccnc5

InChi [?]:

InChI=1/C27H26N6O4/c1-16-23(26(34)30-19-6-5-13-28-15-19)24(18-9-12-21(36-3)22(14-18)37-4)33-27(29-16)31-25(32-33)17-7-10-20(35-2)11-8-17/h5-15,24H,1-4H3,(H,30,34)(H,29,31,32)

InChi Info:

AuxInfo=1/1/N:1,17,28,26,34,33,11,15,20,12,14,21,35,24,37,2,10,19,32,13,22,23,3,4,8,29,6,36,18,31,7,9,5,30,16,27,25/E:(7,8)(10,11)/rA:37cCCCCNCNCNCCCCCCOCNCCCCCCOCOCCONCCCCNC/rB:s1;d2;s3;s4;s5;d6;s7;s5d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s2s6;s4;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s3;d29;s29;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₆N₆O₄
All Atoms:	63
Heavy Atoms:	37
Chiral Atoms:	None

ZAP Information [?]

Total:	9.89018
Area:	723.917
Solvation:	-8.20775
Coulombic:	-70.8982

Bond Count [?]

All:	41
Single:	28
Double:	13
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.34
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