CC1=CC2=C(C=C1)N3CCC4=C3C(=CC=C4)C(=N2)N5CCN(CC5)C
이름: 5-methyl-9-(4-methylpiperazin-1-yl)-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),3,5,8,10,12,14(17)-heptaene
SMILES: CC1=CC2=C(C=C1)N3CCC4=C3C(=CC=C4)C(=N2)N5CCN(CC5)C

Molecular Processing

Molecular formula
C21H24N4
Molecular weight
332.45
Exact mass
332.2001
XLogP
3.33
TPSA
22.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
25
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.381
Molar refractivity
103.6

Supplementary Information

InChIKey: WKYZBBJTXQQPAC-UHFFFAOYSA-N
동의어
SCHEMBL10620893WKYZBBJTXQQPAC-UHFFFAOYSA-N6-(4-methyl-1-piperazinyl)-9-methyl-1,2-dihydrobenzo[b]pyrrolo[3,2,1-jk][1,4]benzodiazepine9-methyl-6-(4-methyl-1-piperazinyl)-1,2-dihydrobenzo[b]pyrrolo[3,2,1-jk][1,4]-benzodiazepine
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