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Chemical ID: 5695541

c1cc2c(cc1CNC(=O)COC(=O)c3ccc4c(c3)nc5n(c4=O)CCCCC5)OCO2

Chemical ID:

5695541

Name [?]:

None

SMILES [?]:

c1cc2c(cc1CNC(=O)COC(=O)c3ccc4c(c3)nc5n(c4=O)CCCCC5)OCO2

InChi [?]:

InChI=1/C24H23N3O6/c28-22(25-12-15-5-8-19-20(10-15)33-14-32-19)13-31-24(30)16-6-7-17-18(11-16)26-21-4-2-1-3-9-27(21)23(17)29/h5-8,10-11H,1-4,9,12-14H2,(H,25,28)

InChi Info:

AuxInfo=1/1/N:28,29,27,30,1,16,17,2,26,5,20,7,11,32,6,15,18,19,3,4,22,9,24,13,8,21,23,10,25,14,12,33,31/rA:33nCCCCCCCNCOCOCOCCCCCCNCNCOCCCCCOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s19;d21;s22;s18s23;d24;s23;s26;s27;s28;s22s29;s4;s31;s3s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃N₃O₆
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3482
Area:	682.542
Solvation:	-5.71533
Coulombic:	-78.6604

Bond Count [?]

All:	37
Single:	27
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	449.456
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	2.34
LogP (Chemaxon):	2.04

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

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

Chemical Mix	Source	External ID	Descriptor	Value