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Chemical ID: 5563728

c1cc2c(cc1C(=O)OCC(=O)NCC3CCCCC3)nc4n(c2=O)CCCCC4

Chemical ID:

5563728

Name [?]:

None

SMILES [?]:

c1cc2c(cc1C(=O)OCC(=O)NCC3CCCCC3)nc4n(c2=O)CCCCC4

InChi [?]:

InChI=1/C23H29N3O4/c27-21(24-14-16-7-3-1-4-8-16)15-30-23(29)17-10-11-18-19(13-17)25-20-9-5-2-6-12-26(20)22(18)28/h10-11,13,16H,1-9,12,14-15H2,(H,24,27)

InChi Info:

AuxInfo=1/1/N:18,28,17,19,29,27,16,20,30,1,2,26,5,14,10,15,6,3,4,22,11,24,7,13,21,23,12,25,8,9/E:(3,4)(7,8)/rA:30nCCCCCCCOOCCONCCCCCCCNCNCOCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s11;s13;s14;s15;s16;s17;s18;s15s19;s4;d21;s22;s3s23;d24;s23;s26;s27;s28;s22s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₉N₃O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.4638
Area:	652.22
Solvation:	-3.84175
Coulombic:	-63.2813

Bond Count [?]

All:	33
Single:	26
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	411.494
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.32
LogP (Chemaxon):	2.48

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