BIAdb CID633810 1779
From DrugPedia: A Wikipedia for Drug discovery
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[http://crdd.osdd.net/raghava/biadb/detail.php?id=1779 Link to BIAdb Database] | [http://crdd.osdd.net/raghava/biadb/detail.php?id=1779 Link to BIAdb Database] | ||
| + | [[Category:BIAdb]] | ||
Current revision
| BIAdb CID633810 1779
| |
| Systematic (IUPAC) name | |
| N-(9,10-dichloro-1,2,3-trimethoxy-5,6-dihydrobenzo[d]heptalen-7-yl)acetamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C21H21Cl2NO4 |
| Mol. mass | 422.30174 |
| 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
422.30174
*Exact Mass
421.084764
*Molecular Formula
C21H21Cl2NO4
*IUPAC NAME
N-(9,10-dichloro-1,2,3-trimethoxy-5,6-dihydrobenzo[d]heptalen-7-yl)acetamide
*Canonical Smiles
CC(=O)NC1=C2C=C(C(=CC=C2C3=C(C(=C(C=C3CC1)OC)OC)OC)Cl)Cl
*Isomeric Smiles
N/A
*XLogP
3.7
*Hydrogen bond donor
1
*Hydrogen bond acceptor
4
*Rotational Bond Count
4
*Topological Polar Surface Area
56.8
