Chemical ID: 6840840

C=C1C(C(n2c(nc(n2)c3cccnc3)N1)c4ccc(cc4)Cl)C(=O)N
Chemical ID:
6840840
Name [?]:
2-(4-chlorophenyl)-4-methylene-8-(3-pyridyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-6,8-diene-3-carboxamide
SMILES [?]:
C=C1C(C(n2c(nc(n2)c3cccnc3)N1)c4ccc(cc4)Cl)C(=O)N
InChi [?]:
InChI=1/C18H15ClN6O/c1-10-14(16(20)26)15(11-4-6-13(19)7-5-11)25-18(22-10)23-17(24-25)12-3-2-8-21-9-12/h2-9,14-15H,1H2,(H2,20,26)(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,12,11,18,22,19,21,13,15,2,17,10,20,3,4,24,8,6,23,26,14,16,7,9,5,25/E:(4,5)(6,7)/rA:26cCCCCNCNCNCCCCNCNCCCCCCClCON/rB:d1;s2;s3;s4;s5;d6;s7;s5d8;s8;s10;d11;s12;d13;d10s14;s2s6;s4;s17;d18;s19;d20;d17s21;s20;s3;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN6O
All Atoms:41
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:10.6922
Area:553.178
Solvation:-3.13729
Coulombic:-55.6853
Bond Count [?]
All:29
Single:19
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:366.804
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.45
LogP (Chemaxon):1.58

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