methyl 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
methyl 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
methyl 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: | K310-0011 |
| Compound Name: | methyl 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: | 473.91 |
| Molecular Formula: | C20 H12 Cl N3 O5 S2 |
| Smiles: | Cc1c2C(N3C(=Nc2sc1C(=O)OC)SCC(C1=Cc2cc(ccc2OC1=O)[Cl])=N3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.559 |
| logD: | 3.559 |
| logSw: | -4.5776 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.561 |
| InChI Key: | KCJBKNCVHKXCPQ-UHFFFAOYSA-N |