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Chemical ID: 7697918

CC1=NN(C(=O)C1=Cc2ccc(c(c2)OC)OCC(=O)OC(C)C)c3ccc(cc3)C#N

Chemical ID:

7697918

Name [?]:

None

SMILES [?]:

CC1=NN(C(=O)C1=Cc2ccc(c(c2)OC)OCC(=O)OC(C)C)c3ccc(cc3)C#N

InChi [?]:

InChI=1/C24H23N3O5/c1-15(2)32-23(28)14-31-21-10-7-18(12-22(21)30-4)11-20-16(3)26-27(24(20)29)19-8-5-17(13-25)6-9-19/h5-12,15H,14H2,1-4H3

InChi Info:

AuxInfo=1/0/N:23,24,1,16,27,29,10,26,30,11,8,14,31,18,22,2,28,9,25,7,12,13,19,5,32,3,4,20,6,15,17,21/E:(1,2)(5,6)(8,9)/rA:32nCCNNCOCCCCCCCCOCOCCOOCCCCCCCCCCN/rB:s1;d2;s3;s4;d5;s2s5;w7;s8;s9;d10;s11;d12;d9s13;s13;s15;s12;s17;s18;d19;s19;s21;s22;s22;s4;s25;d26;s27;d28;d25s29;s28;t31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃N₃O₅
All Atoms:	55
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	10.1625
Area:	693.809
Solvation:	-7.18275
Coulombic:	-52.723

Bond Count [?]

All:	34
Single:	23
Double:	10
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	3.64
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