tert-Butyl 4-(2-(1-(5-propylpyrimidin-2-yl)piperidin-4-yloxy)benzo[d]thiazol-6-yl)-5,6-dihydropyridine-1(2H)-carboxylate

HCID 67464591

Notes Reactions

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Basic information

Standard SMILES: CCCc1cnc(N2CCC(Oc3nc4ccc(C5=CCN(C(=O)OC(C)(C)C)CC5)cc4s3)CC2)nc1
InChIKey: QNWAHDXEFQDNDN-UHFFFAOYSA-N
Molecular formula: C29H37N5O3S
Average molar mass: 535.7 g/mol

Names & identifiers

Preferred name: tert-Butyl 4-(2-(1-(5-propylpyrimidin-2-yl)piperidin-4-yloxy)benzo[d]thiazol-6-yl)-5,6-dihydropyridine-1(2H)-carboxylate
IUPAC: tert-butyl 4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Names & synonyms

SCHEMBL2587278QNWAHDXEFQDNDN-UHFFFAOYSA-Ntert-Butyl 4-(2-(1-(5-propylpyrimidin-2-yl)piperidin-4-yloxy)benzo[d]thiazol-6-yl)-5,6-dihydropyridine-1(2H)-carboxylate

Database identifiers

PubChem CID: 67464591

Properties

Computed structural properties

XLogP: 6.1
Topological polar surface area: 109 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 38
Formal charge: 0
Complexity: 820

Related reactions

3 records

New reaction record

HRID 1429525As productuspto-grants-2015_01

HRID 1429526As reactantuspto-grants-2015_01

HRID 1429540As reactantuspto-grants-2015_01

Compound notes

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