BIAdb N-Trifluoroacetyldemecolcine 2836
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=2836 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=2836 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb N-Trifluoroacetyldemecolcine 2836
| |
| Systematic (IUPAC) name | |
| 2,2,2-trifluoro-N-methyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C23H24F3NO6 |
| Mol. mass | 467.43497 |
| SMILES | & |
| Pharmacokinetic data | |
| Bioavailability | ? |
| Metabolism | ? |
| Half life | ? |
| Excretion | ? |
| Therapeutic considerations | |
| Pregnancy cat. |
? |
| Legal status | |
| Routes | ? |
Contents |
[edit] Description
[edit] Source
N/A
[edit] Function
Unknown
[edit] General Properties
*Molecular Weight
467.43497
*Exact Mass
467.155572
*Molecular Formula
C23H24F3NO6
*IUPAC NAME
2,2,2-trifluoro-N-methyl-N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]acetamide
*Canonical Smiles
CN(C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC)C(=O)C(F)(F)F
*Isomeric Smiles
CN([C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC)C(=O)C(F)(F)F
*XLogP
2.4
*Hydrogen bond donor
0
*Hydrogen bond acceptor
9
*Rotational Bond Count
5
*Topological Polar Surface Area
74.3
