ethyl 2-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
Chemical Structure Depiction of
ethyl 2-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
ethyl 2-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate
Compound characteristics
| Compound ID: | K310-0035 |
| Compound Name: | ethyl 2-(6-chloro-2-oxo-2H-1-benzopyran-3-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxylate |
| Molecular Weight: | 487.94 |
| Molecular Formula: | C21 H14 Cl N3 O5 S2 |
| Smiles: | CCOC(c1c(C)c2C(N3C(=Nc2s1)SCC(C1=Cc2cc(ccc2OC1=O)[Cl])=N3)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9786 |
| logD: | 3.9786 |
| logSw: | -4.7205 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.141 |
| InChI Key: | YFURGCVDRQWVQP-UHFFFAOYSA-N |