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Chemical ID: 5656961

Chemical ID:

5656961

Name [?]:

2-(3-bromophenoxy)-N-tetralin-1-ylideneamino-acetamide

SMILES [?]:

c1ccc2c(c1)CCCC2=NNC(=O)COc3cccc(c3)Br

InChi [?]:

InChI=1/C18H17BrN2O2/c19-14-7-4-8-15(11-14)23-12-18(22)21-20-17-10-3-6-13-5-1-2-9-16(13)17/h1-2,4-5,7-9,11H,3,6,10,12H2,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,2,8,19,6,7,20,18,3,9,22,15,5,21,17,4,10,13,23,11,12,14,16/rA:23nCCCCCCCCCCNNCOCOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;w10;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₇BrN₂O₂
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.21278
Area:	533.859
Solvation:	-5.1337
Coulombic:	-26.8249

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	5
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	373.244
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	4.86
LogP (Chemaxon):	4.03

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