6-hydroxy-3-methyl-5-[2-(5-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-hydroxy-3-methyl-5-[2-(5-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
6-hydroxy-3-methyl-5-[2-(5-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2476 |
| Compound Name: | 6-hydroxy-3-methyl-5-[2-(5-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C19 H17 N3 O3 S2 |
| Smiles: | Cc1ccc(C2CC(C3=C(NC(N(C)C3=O)=O)O)=Nc3ccccc3S2)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1058 |
| logD: | -3.0987 |
| logSw: | -3.3082 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.327 |
| InChI Key: | PSOTWDYOZMHNFJ-HNNXBMFYSA-N |