10-(methoxycarbonyl)-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-(methoxycarbonyl)-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-(methoxycarbonyl)-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: | 8016-9984 |
| Compound Name: | 10-(methoxycarbonyl)-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: | 393.39 |
| Molecular Formula: | C16 H11 N O7 S2 |
| Smiles: | COC(c1ccc2c(c1)C1C(C(C(O)=O)SC3=C1SC(N3)=O)C(=O)O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7492 |
| logD: | -0.6712 |
| logSw: | -2.3976 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.726 |
| InChI Key: | OZSFXFHRKLQVDC-UHFFFAOYSA-N |