5-[2-(4-bromophenyl)-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-bromophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
5-[2-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-2395 |
| Compound Name: | 5-[2-(4-bromophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 474.4 |
| Molecular Formula: | C20 H16 Br N3 O2 S2 |
| Smiles: | CN1C(C(=C(NC1=S)O)C1CC(c2ccc(cc2)[Br])Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7623 |
| logD: | -1.3595 |
| logSw: | -3.9707 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.146 |
| InChI Key: | SWHFUDVWUMDZEB-INIZCTEOSA-N |