Название: tert-butyl (9R,13R)-13-methyl-4-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),5-diene-11-carboxylate
SMILES:
CC1CN(CC2N1C3=C(C2)C=CC(=O)N3)C(=O)OC(C)(C)CMolecular Processing
Molecular formula
C16H23N3O3
Molecular weight
305.38
Exact mass
305.1739
XLogP
1.75
TPSA
65.64
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
84.3
Supplementary Information
InChIKey: TVYIEYRHYQQBQQ-ZYHUDNBSSA-N
Синонимы
SCHEMBL5222823TVYIEYRHYQQBQQ-ZYHUDNBSSA-N(4R,9aR)-6-hydroxy-4-methyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene-2-carboxylic acid tert-butyl ester
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