4-(2-nitrophenyl)-5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c][1]benzopyran
Chemical Structure Depiction of
4-(2-nitrophenyl)-5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c][1]benzopyran
4-(2-nitrophenyl)-5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c][1]benzopyran
Compound characteristics
| Compound ID: | 8018-5299 |
| Compound Name: | 4-(2-nitrophenyl)-5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c][1]benzopyran |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C17 H17 N O3 S |
| Smiles: | C1CCC2C(C1)c1c(ccs1)C(c1ccccc1[N+]([O-])=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7966 |
| logD: | 4.7966 |
| logSw: | -4.8286 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.897 |
| InChI Key: | VYKPCSZZOGRVCW-UHFFFAOYSA-N |