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Chemical ID: 7277523

CC(c1ccccc1)NC(=O)COC(=O)c2ccc3c(c2)nc4n(c3=O)CCCCC4

Chemical ID:

7277523

Name [?]:

None

SMILES [?]:

CC(c1ccccc1)NC(=O)COC(=O)c2ccc3c(c2)nc4n(c3=O)CCCCC4

InChi [?]:

InChI=1/C24H25N3O4/c1-16(17-8-4-2-5-9-17)25-22(28)15-31-24(30)18-11-12-19-20(14-18)26-21-10-6-3-7-13-27(21)23(19)29/h2,4-5,8-9,11-12,14,16H,3,6-7,10,13,15H2,1H3,(H,25,28)

InChi Info:

AuxInfo=1/1/N:1,6,29,5,7,30,28,4,8,31,17,18,27,21,12,2,3,16,19,20,23,10,25,14,9,22,24,11,26,15,13/E:(4,5)(8,9)/rA:31cCCCCCCCCNCOCOCOCCCCCCNCNCOCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s20;d22;s23;s19s24;d25;s24;s27;s28;s29;s23s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₅N₃O₄
All Atoms:	56
Heavy Atoms:	31
Chiral Atoms:	1

ZAP Information [?]

Total:	12.3632
Area:	658.174
Solvation:	-4.09113
Coulombic:	-64.0142

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	419.473
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.11
LogP (Chemaxon):	2.77

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