C1CN(CCC1NCC2=NC3=C(C=C2)SCC(=O)N3)CC4CN5C(=O)C=CC6=NC=C(C4=C65)Cl
Name: 6-[[[1-[(5-chloro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
SMILES: C1CN(CCC1NCC2=NC3=C(C=C2)SCC(=O)N3)CC4CN5C(=O)C=CC6=NC=C(C4=C65)Cl

Molecular Processing

Molecular formula
C24H25ClN6O2S
Molecular weight
497.02
Exact mass
496.1448
XLogP
2.84
TPSA
92.15
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
34
Rings
6
Aromatic rings
3
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
133.65

Supplementary Information

InChIKey: CCZZAKOEUXRKJC-UHFFFAOYSA-N
Synonyme
SCHEMBL3548858CCZZAKOEUXRKJC-UHFFFAOYSA-NRacemic 3-chloro-4-[(4-{[(3-oxo-3,4-dihydro-2H-pyrido[3,2-b][1,4]thiazin-6-yl)methyl]amino}-1-piperidinyl)methyl]-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one
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