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Chemical ID: 5272337

Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3Cc4ccncc4)C(=O)NCCc5ccc(c(c5)OC)OC

Chemical ID:

5272337

Name [?]:

None

SMILES [?]:

Cc1cccn2c1nc3c(c2=O)cc(c(=N)n3Cc4ccncc4)C(=O)NCCc5ccc(c(c5)OC)OC

InChi [?]:

InChI=1/C29H28N6O4/c1-18-5-4-14-34-26(18)33-27-22(29(34)37)16-21(25(30)35(27)17-20-8-11-31-12-9-20)28(36)32-13-10-19-6-7-23(38-2)24(15-19)39-3/h4-9,11-12,14-16,30H,10,13,17H2,1-3H3,(H,32,36)

InChi Info:

AuxInfo=1/1/N:1,39,37,4,3,31,32,20,24,29,21,23,28,5,35,13,18,2,30,19,14,10,33,34,15,7,9,25,11,16,22,27,8,6,17,26,12,38,36/E:(8,9)(11,12)/rA:39nCCCCCNCNCCCOCCCNNCCCCNCCCONCCCCCCCCOCOC/rB:s1;d2;s3;d4;s5;s2s6;d7;s8;d9;s6s10;d11;s10;d13;s14;w15;s9s15;s17;s18;s19;d20;s21;d22;d19s23;s14;d25;s25;s27;s28;s29;s30;d31;s32;d33;d30s34;s34;s36;s33;s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₈N₆O₄
All Atoms:	39
Heavy Atoms:	39
Chiral Atoms:	0

ZAP Information [?]

Total:	11.6523
Area:	761.701
Solvation:	-7.39018
Coulombic:	-80.4417

Bond Count [?]

All:	43
Single:	29
Double:	14
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	524.571
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	1.91
LogP (Chemaxon):	3.57

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value