6-hydroxy-1,3-dimethyl-5-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Chemical Structure Depiction of
6-hydroxy-1,3-dimethyl-5-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
6-hydroxy-1,3-dimethyl-5-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | D364-2346 |
| Compound Name: | 6-hydroxy-1,3-dimethyl-5-(2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-yl)-2-sulfanylidene-2,3-dihydropyrimidin-4(1H)-one |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C21 H19 N3 O2 S2 |
| Smiles: | CN1C(=C(C2CC(c3ccccc3)Sc3ccccc3N=2)C(N(C)C1=S)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8413 |
| logD: | -1.4574 |
| logSw: | -3.2406 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.525 |
| InChI Key: | LWHQQPYCQBKIKP-KRWDZBQOSA-N |