4-{[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
Chemical Structure Depiction of
4-{[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
4-{[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
Compound characteristics
| Compound ID: | D306-0441 |
| Compound Name: | 4-{[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine |
| Molecular Weight: | 348.85 |
| Molecular Formula: | C17 H17 Cl N2 O2 S |
| Smiles: | Cc1nc2CCCc2c(n1)SCc1cc(cc2COCOc12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.161 |
| logD: | 4.1443 |
| logSw: | -4.4863 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.959 |
| InChI Key: | ZWNZMKFTVWGBGH-UHFFFAOYSA-N |