BIAdb Colchicine analog 1878
From DrugPedia: A Wikipedia for Drug discovery
| BIAdb Colchicine analog 1878
| |
| Systematic (IUPAC) name | |
| ethenylN-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]carbamate | |
| Identifiers | |
| CAS number | ? |
| ATC code | ? |
| PubChem | |
| Chemical data | |
| Formula | C23H25NO6S |
| Mol. mass | 443.5127 |
| 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
443.5127
*Exact Mass
443.140258
*Molecular Formula
C23H25NO6S
*IUPAC NAME
ethenylN-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]carbamate
*Canonical Smiles
COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)OC=C)OC)OC
*Isomeric Smiles
COC1=C(C(=C2C(=C1)CC[C@@H](C3=CC(=O)C(=CC=C32)SC)NC(=O)OC=C)OC)OC
*XLogP
2.7
*Hydrogen bond donor
1
*Hydrogen bond acceptor
6
*Rotational Bond Count
7
*Topological Polar Surface Area
83.1
