Chemical ID: 6840834

C=C1C(C(n2c(nc(n2)c3ccccc3Cl)N1)c4cccc(c4)O)C(=O)N
Chemical ID:
6840834
Name [?]:
8-(2-chlorophenyl)-2-(3-hydroxyphenyl)-4-methylene-1,5,7,9-tetrazabicyclo[4.3.0]nona-6,8-diene-3-carboxamide
SMILES [?]:
C=C1C(C(n2c(nc(n2)c3ccccc3Cl)N1)c4cccc(c4)O)C(=O)N
InChi [?]:
InChI=1/C19H16ClN5O2/c1-10-15(17(21)27)16(11-5-4-6-12(26)9-11)25-19(22-10)23-18(24-25)13-7-2-3-8-14(13)20/h2-9,15-16,26H,1H2,(H2,21,27)(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,12,13,20,19,21,11,14,23,2,18,22,10,15,3,4,25,8,6,16,27,17,7,9,5,24,26/rA:27cCCCCNCNCNCCCCCCClNCCCCCCOCON/rB:d1;s2;s3;s4;s5;d6;s7;s5d8;s8;s10;d11;s12;d13;d10s14;s15;s2s6;s4;s18;d19;s20;d21;d18s22;s22;s3;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16ClN5O2
All Atoms:43
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:10.2976
Area:556.88
Solvation:-3.62445
Coulombic:-67.5915
Bond Count [?]
All:30
Single:20
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:381.816
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:3.29
LogP (Chemaxon):2.61

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