3-benzyl-6-hydroxy-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-benzyl-6-hydroxy-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
3-benzyl-6-hydroxy-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2125 |
| Compound Name: | 3-benzyl-6-hydroxy-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C24 H19 N3 O3 S2 |
| Smiles: | C1C(c2cccs2)Sc2ccccc2N=C1C1=C(NC(N(Cc2ccccc2)C1=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0011 |
| logD: | -2.5514 |
| logSw: | -4.1067 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.289 |
| InChI Key: | JLNIWYJQAIZFCI-FQEVSTJZSA-N |