4-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-6-nitro-2-oxo-2H-1-benzopyran-3-carbothioamide
Chemical Structure Depiction of
4-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-6-nitro-2-oxo-2H-1-benzopyran-3-carbothioamide
4-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-6-nitro-2-oxo-2H-1-benzopyran-3-carbothioamide
Compound characteristics
| Compound ID: | C202-4099 |
| Compound Name: | 4-[1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-6-nitro-2-oxo-2H-1-benzopyran-3-carbothioamide |
| Molecular Weight: | 453.43 |
| Molecular Formula: | C21 H15 N3 O7 S |
| Smiles: | COc1cccc(c1)N1C(CC(C2=C(C(=O)Oc3ccc(cc23)[N+]([O-])=O)C(N)=S)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5353 |
| logD: | 1.5353 |
| logSw: | -2.6045 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.457 |
| InChI Key: | YXPBVGKRRUVCKI-CQSZACIVSA-N |