5-{5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-{5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-{5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8008-8595 |
| Compound Name: | 5-{5-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]furan-2-yl}-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 552.71 |
| Molecular Formula: | C32 H28 N2 O3 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(n2)Sc1ccc(C2C3=C(CC(C)(C)CC3=O)c3c(ccc4ccccc34)N2)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.4922 |
| logD: | 8.4922 |
| logSw: | -6.8244 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.757 |
| InChI Key: | MLIULYNMOBXWNK-PMERELPUSA-N |