5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-2394 |
| Compound Name: | 5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 429.95 |
| Molecular Formula: | C20 H16 Cl N3 O2 S2 |
| Smiles: | CN1C(C(=C(NC1=S)O)C1CC(c2ccc(cc2)[Cl])Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5231 |
| logD: | -1.5986 |
| logSw: | -4.1893 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.146 |
| InChI Key: | XZFBFYZMMIIWCM-INIZCTEOSA-N |