6-hydroxy-3-methyl-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-3-methyl-2-sulfanylidene-5-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-3-methyl-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: | D364-2386 |
| Compound Name: | 6-hydroxy-3-methyl-2-sulfanylidene-5-[2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 485.58 |
| Molecular Formula: | C23 H23 N3 O5 S2 |
| Smiles: | CN1C(C(=C(NC1=S)O)C1CC(c2cc(c(c(c2)OC)OC)OC)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6278 |
| logD: | -2.4939 |
| logSw: | -3.2366 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.124 |
| InChI Key: | QIXZGPJFQBESRB-SFHVURJKSA-N |