5'-methoxy-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[[1]benzothiopyran-2,2'-indole]
Chemical Structure Depiction of
5'-methoxy-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[[1]benzothiopyran-2,2'-indole]
5'-methoxy-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[[1]benzothiopyran-2,2'-indole]
Compound characteristics
| Compound ID: | 1923-0116 |
| Compound Name: | 5'-methoxy-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[[1]benzothiopyran-2,2'-indole] |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C20 H20 N2 O3 S |
| Smiles: | CC1(C)c2cc(ccc2N(C)C12C=Cc1cc(ccc1S2)[N+]([O-])=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4619 |
| logD: | 5.4619 |
| logSw: | -5.5104 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.904 |
| InChI Key: | UXBVKKAOSUWHGG-HXUWFJFHSA-N |