3-butyl-5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
3-butyl-5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
3-butyl-5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-2429 |
| Compound Name: | 3-butyl-5-[2-(4-chlorophenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 472.03 |
| Molecular Formula: | C23 H22 Cl N3 O2 S2 |
| Smiles: | CCCCN1C(C(=C(NC1=S)O)C1CC(c2ccc(cc2)[Cl])Sc2ccccc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0308 |
| logD: | -0.091 |
| logSw: | -4.9682 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.359 |
| InChI Key: | GMOITWMBYZRVKJ-IBGZPJMESA-N |