Chemical ID: 6750881

C=C1C(C(n2c(nc(n2)c3ccccc3Cl)N1)c4ccccc4)C(=O)N
Chemical ID:
6750881
Name [?]:
8-(2-chlorophenyl)-4-methylene-2-phenyl-1,5,7,9-tetrazabicyclo[4.3.0]nona-6,8-diene-3-carboxamide
SMILES [?]:
C=C1C(C(n2c(nc(n2)c3ccccc3Cl)N1)c4ccccc4)C(=O)N
InChi [?]:
InChI=1/C19H16ClN5O/c1-11-15(17(21)26)16(12-7-3-2-4-8-12)25-19(22-11)23-18(24-25)13-9-5-6-10-14(13)20/h2-10,15-16H,1H2,(H2,21,26)(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,12,13,19,23,11,14,2,18,10,15,3,4,24,8,6,16,26,17,7,9,5,25/E:(3,4)(7,8)/rA:26cCCCCNCNCNCCCCCCClNCCCCCCCON/rB:d1;s2;s3;s4;s5;d6;s7;s5d8;s8;s10;d11;s12;d13;d10s14;s15;s2s6;s4;s18;d19;s20;d21;d18s22;s3;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16ClN5O
All Atoms:42
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:10.7871
Area:539.998
Solvation:-2.71285
Coulombic:-52.658
Bond Count [?]
All:29
Single:19
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:365.816
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.7
LogP (Chemaxon):2.9

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