3-benzyl-6-hydroxy-5-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-benzyl-6-hydroxy-5-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)pyrimidine-2,4(1H,3H)-dione
3-benzyl-6-hydroxy-5-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2101 |
| Compound Name: | 3-benzyl-6-hydroxy-5-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C26 H21 N3 O3 S |
| Smiles: | C1C(c2ccccc2)Sc2ccccc2N=C1C1=C(NC(N(Cc2ccccc2)C1=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4116 |
| logD: | -2.1409 |
| logSw: | -4.2062 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.271 |
| InChI Key: | MYTGIYXZBKMSGF-QFIPXVFZSA-N |