3-(3,5-dimethylphenyl)-6-hydroxy-5-[2-(5-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(3,5-dimethylphenyl)-6-hydroxy-5-[2-(5-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
3-(3,5-dimethylphenyl)-6-hydroxy-5-[2-(5-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2301 |
| Compound Name: | 3-(3,5-dimethylphenyl)-6-hydroxy-5-[2-(5-methylthiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C26 H23 N3 O3 S2 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C(NC1=O)O)C1CC(c2ccc(C)s2)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1537 |
| logD: | -1.4178 |
| logSw: | -4.8132 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.678 |
| InChI Key: | SPBKRRCCUPSRDJ-QFIPXVFZSA-N |