Chemical ID: 3969097

Cc1ccc(cc1)c2c(n3cc(ccc3n2)C)CC(=O)N(C)C
Chemical ID:
3969097
Name [?]:
N,N-dimethyl-2-[3-methyl-8-(p-tolyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl]-acetamide
SMILES [?]:
Cc1ccc(cc1)c2c(n3cc(ccc3n2)C)CC(=O)N(C)C
InChi [?]:
InChI=1/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,22,23,3,7,13,4,6,14,18,11,2,12,5,9,15,19,8,16,21,10,20/E:(3,4)(5,6)(8,9)/rA:23nCCCCCCCCCNCCCCCNCCCONCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;s10s14;s8d15;s12;s9;s18;d19;s19;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N3O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.73739
Area:516.231
Solvation:-3.16839
Coulombic:-27.2
Bond Count [?]
All:25
Single:17
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:307.39
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.89
LogP (Chemaxon):3.38

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