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Chemical ID: 4568143

Cc1c(ccc2c1oc(=O)c3c2CCC3)OC(=O)C(C)NC(=O)OCc4ccccc4

Chemical ID:

4568143

Name [?]:

None

SMILES [?]:

Cc1c(ccc2c1oc(=O)c3c2CCC3)OC(=O)C(C)NC(=O)OCc4ccccc4

InChi [?]:

InChI=1/C24H23NO6/c1-14-20(12-11-18-17-9-6-10-19(17)23(27)31-21(14)18)30-22(26)15(2)25-24(28)29-13-16-7-4-3-5-8-16/h3-5,7-8,11-12,15H,6,9-10,13H2,1-2H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,20,29,28,30,14,27,31,13,15,5,4,25,2,19,26,12,6,11,3,7,17,9,22,21,18,10,23,24,16,8/E:(4,5)(7,8)/rA:31cCCCCCCCOCOCCCCCOCOCCNCOOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6d11;s12;s13;s11s14;s3;s16;d17;s17;s19;s19;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃NO₆
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	12.7659
Area:	663.342
Solvation:	-3.81767
Coulombic:	-72.9096

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	421.443
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.88
LogP (Chemaxon):	4.77

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