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Basic information
- Standard SMILES
CN(C1CCN(c2ccncc2)CC1)N1C(=O)CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1C(=O)N1CCOCC1.Cl- InChIKey
GMCVPXAJNAMNTO-UHFFFAOYSA-N- Molecular formula
- C30H36Cl2N6O5S
- Average molar mass
- 663.6 g/mol
- Monoisotopic mass
- 662.1844948
Names & identifiers
- Preferred name
- 4-[(6-Chloro-2-naphthyl)sulfonyl]-1-[methyl[1-(4-pyridinyl)-4-piperidinyl]amino]-6-(4-morpholinylcarbonyl)-2-piperazinone Hydrochloride
- IUPAC
- 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[methyl-(1-pyridin-4-ylpiperidin-4-yl)amino]-6-(morpholine-4-carbonyl)piperazin-2-one;hydrochloride
Names & synonyms
SCHEMBL5728495GMCVPXAJNAMNTO-UHFFFAOYSA-N4-[(6-Chloro-2-naphthyl)sulfonyl]-1-[methyl[1-(4-pyridinyl)-4-piperidinyl]amino]-6-(4-morpholinylcarbonyl)-2-piperazinone Hydrochloride
Database identifiers
- PubChem CID
- 22727240
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,090
Related reactions
1 records
Compound notes
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