2,2-dimethyl-5-(thiophen-2-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
2,2-dimethyl-5-(thiophen-2-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
2,2-dimethyl-5-(thiophen-2-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8008-9046 |
| Compound Name: | 2,2-dimethyl-5-(thiophen-2-yl)-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 359.49 |
| Molecular Formula: | C23 H21 N O S |
| Smiles: | CC1(C)CC2=C(C(c3cccs3)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2258 |
| logD: | 5.2258 |
| logSw: | -6.2216 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 25.9502 |
| InChI Key: | PSELCMHQLBCVRM-QFIPXVFZSA-N |