6-hydroxy-5-[2-(2-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-hydroxy-5-[2-(2-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
6-hydroxy-5-[2-(2-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-1909 |
| Compound Name: | 6-hydroxy-5-[2-(2-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | CN1C(=C(C2CC(c3ccccc3OC)Sc3ccccc3N=2)C(N(C)C1=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2445 |
| logD: | -2.1369 |
| logSw: | -3.5436 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.463 |
| InChI Key: | YGVSJCXINWEJQC-SFHVURJKSA-N |