CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(Br)cc3c1N2CCS3
이름: tert-butyl (10R,15S)-7-bromo-4-thia-1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene-12-carboxylate
SMILES: CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(Br)cc3c1N2CCS3

Molecular Processing

Molecular formula
C18H23BrN2O2S
Molecular weight
411.37
Exact mass
410.0664
XLogP
4.47
TPSA
32.78
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
24
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
101.17

Supplementary Information

InChIKey: MLZPTXCLTHKVGZ-KBPBESRZSA-N
동의어
SCHEMBL5636213MLZPTXCLTHKVGZ-KBPBESRZSA-Ntert-butyl(6bR,10aS)-5-bromo-1,2,6b,9,10,10a-hexahydropyrido[4,3-b][1,4]thiazino[2,3,4-hi]indole-8(7H)-carboxylate
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