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Chemical ID: 7351905

CCOC(=O)c1ccc(cc1)n2c(=O)c(c([nH]c2=O)O)C3c4c(c5cc(ccc5[nH]4)OC)CCN3

Chemical ID:

7351905

Name [?]:

None

SMILES [?]:

CCOC(=O)c1ccc(cc1)n2c(=O)c(c([nH]c2=O)O)C3c4c(c5cc(ccc5[nH]4)OC)CCN3

InChi [?]:

InChI=1/C25H24N4O6/c1-3-35-24(32)13-4-6-14(7-5-13)29-23(31)19(22(30)28-25(29)33)21-20-16(10-11-26-21)17-12-15(34-2)8-9-18(17)27-20/h4-9,12,21,26-27,30H,3,10-11H2,1-2H3,(H,28,33)

InChi Info:

AuxInfo=1/1/N:1,32,2,7,11,8,10,27,28,33,34,25,6,9,26,23,24,29,15,22,21,16,13,4,18,35,30,17,12,20,14,5,19,31,3/E:(4,5)(6,7)/rA:35cCCOCOCCCCCCNCOCCNCOOCCCCCCCCCNOCCCN/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;d15;s16;s12s17;d18;s16;s15;s21;d22;s23;s24;d25;s26;d27;d24s28;s22s29;s26;s31;s23;s33;s21s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄N₄O₆
All Atoms:	59
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	11.1153
Area:	692.901
Solvation:	-6.20723
Coulombic:	-100.099

Bond Count [?]

All:	39
Single:	28
Double:	11
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	476.481
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	2.13
LogP (Chemaxon):	0.76

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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