3-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[1,2-c][1,3]thiazol-4-ium
Chemical Structure Depiction of
3-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[1,2-c][1,3]thiazol-4-ium
3-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[1,2-c][1,3]thiazol-4-ium
Compound characteristics
| Compound ID: | 8020-8815 |
| Compound Name: | 3-(3,4,5-trimethoxyanilino)-6,7-dihydro-5H-pyrrolo[1,2-c][1,3]thiazol-4-ium |
| Molecular Weight: | 387.29 |
| Molecular Formula: | C15 H19 N2 O3 S |
| Salt: | Br- |
| Smiles: | COc1cc(cc(c1OC)OC)Nc1[n+]2CCCc2cs1 |
| Stereo: | ACHIRAL |
| logP: | 3.1089 |
| logD: | 3.1089 |
| logSw: | -3.345 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.891 |
| InChI Key: | IPWSWYPXNTZDNI-UHFFFAOYSA-O |