5-(5-bromothiophen-2-yl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Chemical Structure Depiction of
5-(5-bromothiophen-2-yl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
5-(5-bromothiophen-2-yl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one
Compound characteristics
| Compound ID: | 4463-0198 |
| Compound Name: | 5-(5-bromothiophen-2-yl)-3,3-dimethyl-3,4,5,6-tetrahydrobenzo[a]phenanthridin-1(2H)-one |
| Molecular Weight: | 438.38 |
| Molecular Formula: | C23 H20 Br N O S |
| Smiles: | CC1(C)CC2C(c3ccc(s3)[Br])Nc3ccc4ccccc4c3C=2C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1572 |
| logD: | 6.1572 |
| logSw: | -6.8979 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.9502 |
| InChI Key: | FFLJNLXJFDIMCN-JOCHJYFZSA-N |