6-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-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]-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-2397 |
| Compound Name: | 6-hydroxy-5-[2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C21 H19 N3 O4 S2 |
| Smiles: | CN1C(C(=C(NC1=S)O)C1CC(c2ccc(c(c2)O)OC)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3063 |
| logD: | -2.8154 |
| logSw: | -2.852 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.325 |
| InChI Key: | AQAYEDQTZJTDCP-KRWDZBQOSA-N |