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Chemical ID: 7255475

Chemical ID:

7255475

Name [?]:

N-[(2,4-dichlorophenyl)methyl]-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-8-carboxamide

SMILES [?]:

c1ccn2cc(nc2c1)C(=O)NCc3ccc(cc3Cl)Cl

InChi [?]:

InChI=1/C15H11Cl2N3O/c16-11-5-4-10(12(17)7-11)8-18-15(21)13-9-20-6-2-1-3-14(20)19-13/h1-7,9H,8H2,(H,18,21)

InChi Info:

AuxInfo=1/1/N:1,2,9,15,16,3,18,13,5,14,17,19,6,8,10,21,20,12,7,4,11/rA:21nCCCNCCNCCCONCCCCCCCClCl/rB:s1;d2;s3;s4;d5;s6;s4d7;d1s8;s6;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₁Cl₂N₃O
All Atoms:	32
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8101
Area:	513.602
Solvation:	-2.03
Coulombic:	-35.922

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	320.173
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.36
LogP (Chemaxon):	3.45

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

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Chemical Mix	Source	External ID	Descriptor	Value