10-nitro-2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid
Chemical Structure Depiction of
10-nitro-2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid
10-nitro-2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid
Compound characteristics
| Compound ID: | 6427-0514 |
| Compound Name: | 10-nitro-2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-[1]benzopyrano[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid |
| Molecular Weight: | 380.35 |
| Molecular Formula: | C14 H8 N2 O7 S2 |
| Smiles: | c1cc2c(cc1[N+]([O-])=O)C1C(C(C(O)=O)SC3=C1SC(N3)=O)C(=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.5128 |
| logD: | -0.9076 |
| logSw: | -2.4638 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.933 |
| InChI Key: | XIPVJQCDBDFGPS-UHFFFAOYSA-N |