Basic information
- Standard SMILES
CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(C)(C(=O)OCC)CC4)nc3)cc(-c3cn(C)nn3)c2s1- InChIKey
HTCSZBUCAVAHCX-UHFFFAOYSA-N- Molecular formula
- C26H31N9O3S
- Average molar mass
- 549.7 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-[5-[2-(ethylcarbamoylamino)-7-(1-methyltriazol-4-yl)-1,3-benzothiazol-5-yl]pyrimidin-2-yl]-4-methyl-piperidine-4-carboxylate
- IUPAC
- ethyl 1-[5-[2-(ethylcarbamoylamino)-7-(1-methyltriazol-4-yl)-1,3-benzothiazol-5-yl]pyrimidin-2-yl]-4-methylpiperidine-4-carboxylate
Names & synonyms
SCHEMBL1282918HTCSZBUCAVAHCX-UHFFFAOYSA-NEthyl 1-[5-[2-(ethylcarbamoylamino)-7-(1-methyltriazol-4-yl)-1,3-benzothiazol-5-yl]pyrimidin-2-yl]-4-methyl-piperidine-4-carboxylate
Database identifiers
- PubChem CID
- 86663979
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 168 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 853
Related reactions
1 records
Compound notes
Loading…