3-butyl-6-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-butyl-6-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
3-butyl-6-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-2006 |
| Compound Name: | 3-butyl-6-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 467.54 |
| Molecular Formula: | C24 H25 N3 O5 S |
| Smiles: | CCCCN1C(C(=C(NC1=O)O)C1CC(c2ccc(c(c2)OC)O)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3329 |
| logD: | -2.8716 |
| logSw: | -3.4223 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.7 |
| InChI Key: | RMPNXHIURZKBKO-FQEVSTJZSA-N |