5-hydroxy-1-(prop-2-en-1-yl)-2-sulfanylidene-5-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-4,6-dione
Chemical Structure Depiction of
5-hydroxy-1-(prop-2-en-1-yl)-2-sulfanylidene-5-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-4,6-dione
5-hydroxy-1-(prop-2-en-1-yl)-2-sulfanylidene-5-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-4,6-dione
Compound characteristics
| Compound ID: | 8019-1465 |
| Compound Name: | 5-hydroxy-1-(prop-2-en-1-yl)-2-sulfanylidene-5-(trifluoromethyl)-2,3,5,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidine-4,6-dione |
| Molecular Weight: | 307.25 |
| Molecular Formula: | C10 H8 F3 N3 O3 S |
| Smiles: | C=CCN1C2=C(C(NC1=S)=O)C(C(N2)=O)(C(F)(F)F)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3689 |
| logD: | 0.3689 |
| logSw: | -2.0988 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.429 |
| InChI Key: | ZVQMORARCVECMR-VIFPVBQESA-N |