6-hydroxy-3-(prop-2-en-1-yl)-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-hydroxy-3-(prop-2-en-1-yl)-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
6-hydroxy-3-(prop-2-en-1-yl)-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-1950 |
| Compound Name: | 6-hydroxy-3-(prop-2-en-1-yl)-5-[2-(thiophen-2-yl)-2,3-dihydro-1,5-benzothiazepin-4-yl]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C20 H17 N3 O3 S2 |
| Smiles: | C=CCN1C(C(=C(NC1=O)O)C1CC(c2cccs2)Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8863 |
| logD: | -3.0315 |
| logSw: | -3.3613 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.539 |
| InChI Key: | ISMHKEPOGRVRFQ-INIZCTEOSA-N |