heptyl N-(4-methyl-9H-xanthen-9-yl)carbamate
Basic information
- CAS
7473-59-8- Standard SMILES
CCCCCCCOC(=O)NC1c2ccccc2Oc2c(C)cccc21- InChIKey
VPYDYEUDCPVQKF-UHFFFAOYSA-N- Molecular formula
- C22H27NO3
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.19909372
Names & identifiers
- Preferred name
- heptyl N-(4-methyl-9H-xanthen-9-yl)carbamate
- IUPAC
- heptyl N-(4-methyl-9H-xanthen-9-yl)carbamate
Names & synonyms
heptyl N-(4-methyl-9H-xanthen-9-yl)carbamate7473-59-8NSC400676DTXSID10322205NSC-400676DS-011164Heptyl (4-methyl-9H-xanthen-9-yl)carbamate
Database identifiers
- CAS
7473-59-8- PubChem CID
- 344014
- DTXSID
DTXSID10322205
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 441
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Compound notes
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