3-Methoxy-4-[[2-methyl-6-[(2-methyl1,3-thiazol-4-yl)methyl]-3-oxo-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-9-yl]amino]-n-(1-methyl-4-piperidyl)benzamide

HCID 68684220
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cc(C(=O)NC2CCN(C)CC2)ccc1Nc1ncc2c(n1)N(Cc1csc(C)n1)CCC(=O)N2C
InChIKey
FTWXHYHOYQPCFA-UHFFFAOYSA-N
Molecular formula
C27H34N8O3S
Average molar mass
550.7 g/mol

Names & identifiers

Preferred name
3-Methoxy-4-[[2-methyl-6-[(2-methyl1,3-thiazol-4-yl)methyl]-3-oxo-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-9-yl]amino]-n-(1-methyl-4-piperidyl)benzamide
IUPAC
3-methoxy-4-[[5-methyl-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide

Names & synonyms

SCHEMBL3544867FTWXHYHOYQPCFA-UHFFFAOYSA-N3-methoxy-4-[[2-methyl-6-[(2-methyl1,3-thiazol-4-yl)methyl]-3-oxo-2,6,8,10-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-9-yl]amino]-n-(1-methyl-4-piperidyl)benzamide

Database identifiers

PubChem CID
68684220

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
144 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
39

Related reactions

2 records
New reaction record

Linked notes

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