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Chemical ID: 6388356

Chemical ID:

6388356

Name [?]:

3,4-dimethoxy-N-tetralin-1-ylideneamino-benzamide

SMILES [?]:

COc1ccc(cc1OC)C(=O)NN=C2CCCc3c2cccc3

InChi [?]:

InChI=1/C19H20N2O3/c1-23-17-11-10-14(12-18(17)24-2)19(22)21-20-16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-12H,5,7,9H2,1-2H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,10,23,22,17,24,18,21,16,5,4,7,19,6,20,15,3,8,11,14,13,12,2,9/rA:24nCOCCCCCCOCCONNCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;w14;s15;s16;s17;s18;s15s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₀N₂O₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	7.03476
Area:	538.482
Solvation:	-6.42728
Coulombic:	-33.6582

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	5
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	324.374
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	3.94
LogP (Chemaxon):	2.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value