Basic information
- Standard SMILES
COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(C(N)=S)cc23)cc1Cl- InChIKey
SWEXGFPDKCRTIM-UHFFFAOYSA-N- Molecular formula
- C22H24ClN5O2S
- Average molar mass
- 458 g/mol
Names & identifiers
- Preferred name
- 4-[(3-Chloro-4-methoxybenzyl)amino]-1(4-hydroxypiperidino)-6-phthalazine carbothiamide
- IUPAC
- 4-[(3-chloro-4-methoxyphenyl)methylamino]-1-(4-hydroxypiperidin-1-yl)phthalazine-6-carbothioamide
Names & synonyms
SCHEMBL6779758SWEXGFPDKCRTIM-UHFFFAOYSA-N4-[(3-Chloro-4-methoxybenzyl)amino]-1(4-hydroxypiperidino)-6-phthalazine carbothiamide4-[(3-Chloro-4-methoxybenzyl)amino]-1-(4-hydroxypiperidino)-6-phthalazine Carbothiamide
Database identifiers
- PubChem CID
- 9933834
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 608
Related reactions
2 records
Compound notes
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