6-hydroxy-3-methyl-2-sulfanylidene-5-[2-(thiophen-2-yl)-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-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-3-methyl-2-sulfanylidene-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-2405 |
| Compound Name: | 6-hydroxy-3-methyl-2-sulfanylidene-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 401.53 |
| Molecular Formula: | C18 H15 N3 O2 S3 |
| Smiles: | CN1C(C(=C(NC1=S)O)C1CC(c2cccs2)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5222 |
| logD: | -2.5996 |
| logSw: | -2.7294 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.164 |
| InChI Key: | CGHKAHQOGWTNSY-AWEZNQCLSA-N |