propan-2-yl {[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
propan-2-yl {[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
propan-2-yl {[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | L105-0367 |
| Compound Name: | propan-2-yl {[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CC(C)OC(CSC1=Nc2c(cn(C)c2C(N1CC=C)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5599 |
| logD: | 3.5599 |
| logSw: | -3.6469 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.304 |
| InChI Key: | FFSXEYIFFJVBNK-UHFFFAOYSA-N |