Nom: ethyl 2-[[(6R,7R)-18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-yl]amino]acetate
SMILES:
CCOC(=O)CNC1CCCN2C1C3=CC=CC=C3N(C4=C2C=C(C=C4)Cl)CMolecular Processing
Molecular formula
C22H26ClN3O2
Molecular weight
399.92
Exact mass
399.1714
XLogP
4.28
TPSA
44.81
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
113.7
Supplementary Information
InChIKey: ADNXEEYYDHAYDV-VGOFRKELSA-N
Synonymes
ADNXEEYYDHAYDV-VGOFRKELSA-NEthyl trans-[(7-chloro-1,2,3,4,10,14b-hexahydro-10-methyldibenzo[b,f]pyrido[1,2-d][1,4]diazepin-1-yl)amino]acetate
Impliqué dans 2 réactions→