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Chemical ID: 4554070

Cc1ccc2c(=NNc3ccccc3)cc(oc2c1)c4ccc5c(c4)OCCO5

Chemical ID:

4554070

Name [?]:

N-[2-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-7-methyl-chromen-4-ylidene]aminoaniline

SMILES [?]:

Cc1ccc2c(=NNc3ccccc3)cc(oc2c1)c4ccc5c(c4)OCCO5

InChi [?]:

InChI=1/C24H20N2O3/c1-16-7-9-19-20(26-25-18-5-3-2-4-6-18)15-22(29-23(19)13-16)17-8-10-21-24(14-17)28-12-11-27-21/h2-10,13-15,25H,11-12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,12,11,13,10,14,3,21,4,22,28,27,19,25,15,2,20,9,5,6,23,16,18,24,8,7,29,26,17/E:(3,4)(5,6)/rA:29nCCCCCCNNCCCCCCCCOCCCCCCCCOCCO/rB:s1;s2;d3;s4;s5;w6;s7;s8;s9;d10;s11;d12;d9s13;s6;d15;s16;d5s17;d2s18;s16;s20;d21;s22;d23;d20s24;s24;s26;s27;s23s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₀N₂O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.989
Area:	599.368
Solvation:	-3.99517
Coulombic:	-36.2943

Bond Count [?]

All:	33
Single:	22
Double:	11
Rotors:	3
Chiral:	1
Rigid Segments:	3

Chemical Properties

Molecular Weight:	384.427
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.31
LogP (Chemaxon):	5.49

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