BIAdb N-Benzoyldeacetylthiocolchicine 2749
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb N-Benzoyldeacetylthiocolchicine 2749
| |
| Systematic (IUPAC) name | |
| N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]benzamide | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C27H27NO5S |
| Mol. mass | 477.57198 |
| 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
477.57198
*Exact Mass
477.160994
*Molecular Formula
C27H27NO5S
*IUPAC NAME
N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]benzamide
*Canonical Smiles
COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=CC=C4)OC)OC
*Isomeric Smiles
COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=CC=C4)OC)OC
*XLogP
3.4
*Hydrogen bond donor
1
*Hydrogen bond acceptor
5
*Rotational Bond Count
6
*Topological Polar Surface Area
73.9
