BRN 5655431
ethenyl N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamate
| Molecular Formula | C23H25NO6S |
|---|---|
| Molecular Weight | 443.5 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 108.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.14026 |
| Heavy Atoms | 31 |
| Complexity | 804.0 |
Chemical Identifiers
| CAS Number | 97043-05-5 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)OC=C)OC)OC |
| InChIKey | QNPQOSKMAOKAKA-UHFFFAOYSA-N |
📖 Product Overview
BRN 5655431 (CAS: 97043-05-5) is a chemical compound with molecular formula C23H25NO6S and molecular weight 443.5 g/mol. Its IUPAC systematic name is ethenyl N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamate.
QNPQOSKMAOKAKA-UHFFFAOYSA-N.
SMILES: COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)OC=C)OC)OC.
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