13-Methyl-2,3,4,5,6,7,8,9,10,11-decahydro-1,13-benzothiazacyclopentadecin-12(13H)-one
Basic information
- CAS
73674-15-4- Standard SMILES
CN1C(=O)CCCCCCCCCCSc2ccccc21- InChIKey
VVODFAQRGJTZOB-UHFFFAOYSA-N- Molecular formula
- C18H27NOS
- Average molar mass
- 305.5 g/mol
- Monoisotopic mass
- 305.18133566
Names & identifiers
- Preferred name
- 13-Methyl-2,3,4,5,6,7,8,9,10,11-decahydro-1,13-benzothiazacyclopentadecin-12(13H)-one
- IUPAC
- 14-methyl-2-thia-14-azabicyclo[13.4.0]nonadeca-1(19),15,17-trien-13-one
Names & synonyms
73674-15-4S3C1L57PTN13-Methyl-2,3,4,5,6,7,8,9,10,11-decahydro-1,13-benzothiazacyclopentadecin-12(13H)-oneUNII-S3C1L57PTNNSC 362463NSC-362463DTXSID302239271,13-BENZOTHIAAZACYCLOPENTADECIN-12(13H)-ONE, 2,3,4,5,6,7,8,9,10,11-DECAHYDRO-13-METHYL-2,3,4,5,6,7,8,9,10,11-DECAHYDRO-13-METHYL-1,13-BENZOTHIAAZACYCLOPENTADECIN-12(13H)-ONERefChem:78475DTXCID60146418NSC362463
Show more names
2-methyl-14-thia-2-azabicyclo[13.4.0]nonadeca-1(15),16,18-trien-3-one
Database identifiers
- CAS
73674-15-4- PubChem CID
- 338729
- DTXSID
DTXSID30223927- UNII
- S3C1L57PTN
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 308
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Related reactions
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Compound notes
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