5-(7-methoxy-2-oxo-2H-1,3-benzoxathiol-5-yl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-(7-methoxy-2-oxo-2H-1,3-benzoxathiol-5-yl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-(7-methoxy-2-oxo-2H-1,3-benzoxathiol-5-yl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8009-2938 |
| Compound Name: | 5-(7-methoxy-2-oxo-2H-1,3-benzoxathiol-5-yl)-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C27 H23 N O4 S |
| Smiles: | CC1(C)CC2=C(C(c3cc(c4c(c3)SC(=O)O4)OC)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5583 |
| logD: | 5.5583 |
| logSw: | -6.8422 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.319 |
| InChI Key: | URWVEFCBNZMAMF-DEOSSOPVSA-N |