6-hydroxy-5-[2-(3-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
6-hydroxy-5-[2-(3-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-5-[2-(3-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-2376 |
| Compound Name: | 6-hydroxy-5-[2-(3-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-1,3-dimethyl-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C21 H19 N3 O3 S2 |
| Smiles: | CN1C(=C(C2CC(c3cccc(c3)O)Sc3ccccc3N=2)C(N(C)C1=S)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3694 |
| logD: | -1.9293 |
| logSw: | -2.5479 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.142 |
| InChI Key: | GTKFIHPOKLGUCB-KRWDZBQOSA-N |