3-benzyl-6-hydroxy-5-[2-(3-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-benzyl-6-hydroxy-5-[2-(3-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
3-benzyl-6-hydroxy-5-[2-(3-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2131 |
| Compound Name: | 3-benzyl-6-hydroxy-5-[2-(3-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C26 H21 N3 O4 S |
| Smiles: | C1C(c2cccc(c2)O)Sc2ccccc2N=C1C1=C(NC(N(Cc2ccccc2)C1=O)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9397 |
| logD: | -2.6127 |
| logSw: | -3.8649 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.888 |
| InChI Key: | HXGCPRHCBAWZNK-QFIPXVFZSA-N |