2-(4-{[(3-Chlorophenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic Acid

HCID 45484148
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Basic information

Standard SMILES
CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=S)Nc4cccc(Cl)c4)CC3)nc21
InChIKey
DORVZIYMQNAKAD-UHFFFAOYSA-N
Molecular formula
C21H21ClN6O3S
Average molar mass
472.9 g/mol
Monoisotopic mass
472.1084374

Names & identifiers

Preferred name
2-(4-{[(3-Chlorophenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic Acid
IUPAC
2-[4-[(3-chlorophenyl)carbamothioyl]piperazin-1-yl]-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid

Names & synonyms

CHEMBL5832572-(4-{[(3-Chlorophenyl)amino]carbonothioyl}-1-piperazinyl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic AcidSCHEMBL1804046DORVZIYMQNAKAD-UHFFFAOYSA-NBDBM50300210

Database identifiers

PubChem CID
45484148
ChEMBL
CHEMBL583257

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
134 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
32

Related reactions

1 records
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Compound notes

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