Basic information
- CAS
101018-78-4- Standard SMILES
O=c1sc2ccccc2c2nc(CN3CCCCC3)[nH]c12- InChIKey
RLSFPRHQHCQZCQ-UHFFFAOYSA-N- Molecular formula
- C16H17N3OS
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.10923335
Names & identifiers
- Preferred name
- (1)Benzothiopyrano(3,4-d)imidazol-4(1H)-one, 2-(1-piperidinylmethyl)-
- IUPAC
- 2-(piperidin-1-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one
Names & synonyms
(1)BENZOTHIOPYRANO(3,4-d)IMIDAZOL-4(1H)-ONE, 2-(1-PIPERIDINYLMETHYL)-101018-78-4DTXSID60143664RefChem:1049160DTXCID6066155NIOSH/DL9829860DL982986002-(Piperidinomethyl)(1)benzothiopyrano(3,4-d)imidazol-4(1H)-one(1)Benzothiopyrano(3,4-d)imidazol-4(1H)-one, 2-(piperidinomethyl)-BRN 55903562-(1-Piperidinylmethyl)(1)benzothiopyrano(3,4-d)imidazol-4(1H)-one2-[(Piperidin-1-yl)methyl][1]benzothiopyrano[3,4-d]imidazol-4(3H)-one
Database identifiers
- CAS
101018-78-4- PubChem CID
- 58149
- DTXSID
DTXSID60143664
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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