3-(4-methylanilino)-6,7-dihydro-5H-pyrrolo[1,2-c][1,3]thiazol-4-ium--bromide (1/1)
Chemical Structure Depiction of
3-(4-methylanilino)-6,7-dihydro-5H-pyrrolo[1,2-c][1,3]thiazol-4-ium--bromide (1/1)
3-(4-methylanilino)-6,7-dihydro-5H-pyrrolo[1,2-c][1,3]thiazol-4-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 8020-8817 |
| Compound Name: | 3-(4-methylanilino)-6,7-dihydro-5H-pyrrolo[1,2-c][1,3]thiazol-4-ium--bromide (1/1) |
| Molecular Weight: | 311.24 |
| Molecular Formula: | C13 H15 N2 S |
| Salt: | Br- |
| Smiles: | Cc1ccc(cc1)Nc1[n+]2CCCc2cs1 |
| Stereo: | ACHIRAL |
| logP: | 4.1517 |
| logD: | 4.1517 |
| logSw: | -4.0296 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 10.9128 |
| InChI Key: | KVIHKJDUHMRPJC-UHFFFAOYSA-O |