N-tert-butyl-1-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Chemical Structure Depiction of
N-tert-butyl-1-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
N-tert-butyl-1-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | K416-0004 |
| Compound Name: | N-tert-butyl-1-(4-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carbothioamide |
| Molecular Weight: | 331.45 |
| Molecular Formula: | C18 H22 F N3 S |
| Smiles: | [H]N(C(N1CCn2cccc2C1c1ccc(cc1)F)=S)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4236 |
| logD: | 4.4236 |
| logSw: | -4.1955 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 13.0283 |
| InChI Key: | IQYOUBJXPZOLBB-MRXNPFEDSA-N |