N-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
N-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide
Compound characteristics
| Compound ID: | K310-0097 |
| Compound Name: | N-(3-chlorophenyl)-2-(5-chlorothiophen-2-yl)-8-methyl-9-oxo-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-7-carboxamide |
| Molecular Weight: | 507.44 |
| Molecular Formula: | C20 H12 Cl2 N4 O2 S3 |
| Smiles: | Cc1c2C(N3C(=Nc2sc1C(Nc1cccc(c1)[Cl])=O)SCC(c1ccc(s1)[Cl])=N3)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6596 |
| logD: | 5.5985 |
| logSw: | -6.0752 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.575 |
| InChI Key: | DMPREHLCYICXHI-UHFFFAOYSA-N |