hydroxy-(2-methyl-4-p-tolyl-5,8-dihydro-6H-7-oxa-9-thia-1-aza-fluoren-3-yl)-acetic acid ethyl ester
Basic information
- Standard SMILES
CCOC(=O)C(O)c1c(C)nc2sc3c(c2c1-c1ccc(C)cc1)CCOC3- InChIKey
HPGPDBNGMRHRPZ-UHFFFAOYSA-N- Molecular formula
- C22H23NO4S
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.13477939
Names & identifiers
- Preferred name
- hydroxy-(2-methyl-4-p-tolyl-5,8-dihydro-6H-7-oxa-9-thia-1-aza-fluoren-3-yl)-acetic acid ethyl ester
- IUPAC
- ethyl 2-hydroxy-2-[11-methyl-13-(4-methylphenyl)-5-oxa-8-thia-10-azatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-12-yl]acetate
Names & synonyms
SCHEMBL6121156HPGPDBNGMRHRPZ-UHFFFAOYSA-Nhydroxy-(2-methyl-4-p-tolyl-5,8-dihydro-6H-7-oxa-9-thia-1-aza-fluoren-3-yl)-acetic acid ethyl ester
Database identifiers
- PubChem CID
- 69672802
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 553
Related reactions
2 records
Compound notes
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