Basic information
- Standard SMILES
COC(=O)c1cnc(N2CCN(S(=O)(=O)c3cccc4c(N(C)C)cccc34)CC2)s1- InChIKey
RSYMFJRVOZLTLB-UHFFFAOYSA-N- Molecular formula
- C21H24N4O4S2
- Average molar mass
- 460.6 g/mol
Names & identifiers
- Preferred name
- 4-(5-Dimethylamino-naphthalene-1-sulfonyl)-piperazin-1-yl-thiazole-5-carboxylic acid methyl ester
- IUPAC
- methyl 2-[4-[5-(dimethylamino)naphthalen-1-yl]sulfonylpiperazin-1-yl]-1,3-thiazole-5-carboxylate
Names & synonyms
SCHEMBL4809284RSYMFJRVOZLTLB-UHFFFAOYSA-N2-[4-(5-dimethylamino-naphthalene-1-sulfonyl)-piperazin-1-yl]-thiazole-5-carboxlic acid methyl ester2-[4-(5-dimethylamino-naphthalene-1-sulfonyl)-piperazin-1-yl]-thiazole-5-carboxylic acid methyl ester4-(5-dimethylamino-naphthalene-1-sulfonyl)-piperazin-1-yl-thiazole-5-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 69199723
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 736
Related reactions
4 records
Compound notes
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