methyl 5-{[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl}furan-2-carboxylate
methyl 5-{[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | P585-2117 |
| Compound Name: | methyl 5-{[4-(4-methylphenyl)-1,1-dioxo-3,4-dihydro-1lambda~6~-pyrido[2,3-e][1,2,4]thiadiazin-2(1H)-yl]methyl}furan-2-carboxylate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C20 H19 N3 O5 S |
| Smiles: | Cc1ccc(cc1)N1CN(Cc2ccc(C(=O)OC)o2)S(c2cccnc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.55 |
| logD: | 3.55 |
| logSw: | -3.5455 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.831 |
| InChI Key: | QPNNAHAGTYATEE-UHFFFAOYSA-N |