5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | D364-1939 |
| Compound Name: | 5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C22 H18 Cl N3 O3 S |
| Smiles: | C=CCN1C(C(=C(NC1=O)O)C1CC(c2ccc(cc2)[Cl])Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8872 |
| logD: | -2.0306 |
| logSw: | -4.592 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.521 |
| InChI Key: | SWDCBVUIBKOSGY-SFHVURJKSA-N |