1-ethyl-2-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl][1]benzofuro[3,2-d][1,3]thiazol-1-ium--iodide (1/1)
Chemical Structure Depiction of
1-ethyl-2-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl][1]benzofuro[3,2-d][1,3]thiazol-1-ium--iodide (1/1)
1-ethyl-2-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl][1]benzofuro[3,2-d][1,3]thiazol-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 2056-0257 |
| Compound Name: | 1-ethyl-2-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl][1]benzofuro[3,2-d][1,3]thiazol-1-ium--iodide (1/1) |
| Molecular Weight: | 465.4 |
| Molecular Formula: | C21 H24 N O S |
| Salt: | I- |
| Smiles: | CC[n+]1c2c3ccccc3oc2sc1\C=C1/CC(C)(C)CC(C)=C1 |
| Stereo: | ACHIRAL |
| logP: | 6.4458 |
| logD: | 6.4458 |
| logSw: | -6.1294 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 10.1111 |
| InChI Key: | UJVYMZYAMCPVMO-PTNGSMBKSA-N |