Name: diethyl 5-(2,4-dichlorophenyl)-2-methyl-6b,9,10,10a-tetrahydro-1H-pyrido[3′,4′:4,5]pyrrolo[1,2,3-de]quinoxaline-3,8(2H,7H)-dicarboxylate
SMILES:
CCOC(=O)N1CCC2C(C1)c1cc(-c3ccc(Cl)cc3Cl)cc3c1N2CC(C)N3C(=O)OCCMolecular Processing
Molecular formula
C26H29Cl2N3O4
Molecular weight
518.44
Exact mass
517.1535
XLogP
6.16
TPSA
62.32
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
35
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
137.95
Supplementary Information
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Involved in 9 reactions→