6-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
6-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-2362 |
| Compound Name: | 6-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 455.55 |
| Molecular Formula: | C22 H21 N3 O4 S2 |
| Smiles: | CN1C(=C(C2CC(c3ccc(c(c3)O)OC)Sc3ccccc3N=2)C(N(C)C1=S)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2149 |
| logD: | -2.0838 |
| logSw: | -2.7035 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.703 |
| InChI Key: | OADQQJAEEDDTFK-SFHVURJKSA-N |