5-(furan-2-yl)-2-methyl-N-(3-nitro-5-phenoxyphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
5-(furan-2-yl)-2-methyl-N-(3-nitro-5-phenoxyphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
5-(furan-2-yl)-2-methyl-N-(3-nitro-5-phenoxyphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-1091 |
| Compound Name: | 5-(furan-2-yl)-2-methyl-N-(3-nitro-5-phenoxyphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 468.44 |
| Molecular Formula: | C21 H16 N4 O7 S |
| Smiles: | CN1C(=CC(c2ccco2)=NS1(=O)=O)C(Nc1cc(cc(c1)Oc1ccccc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7605 |
| logD: | 1.8825 |
| logSw: | -4.0512 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.026 |
| InChI Key: | GRXXWIRQKYJXOY-UHFFFAOYSA-N |