6-hydroxy-1,3-dimethyl-2-sulfanylidene-5-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
6-hydroxy-1,3-dimethyl-2-sulfanylidene-5-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-1,3-dimethyl-2-sulfanylidene-5-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-2351 |
| Compound Name: | 6-hydroxy-1,3-dimethyl-2-sulfanylidene-5-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C24 H25 N3 O5 S2 |
| Smiles: | CN1C(=C(C2CC(c3cc(c(c(c3)OC)OC)OC)Sc3ccccc3N=2)C(N(C)C1=S)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5364 |
| logD: | -1.7623 |
| logSw: | -2.8973 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.503 |
| InChI Key: | JAJNUMQAZHDWIN-IBGZPJMESA-N |