2-{[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]methyl}benzonitrile
2-{[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | D306-0425 |
| Compound Name: | 2-{[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 281.38 |
| Molecular Formula: | C16 H15 N3 S |
| Smiles: | Cc1nc2CCCc2c(n1)SCc1ccccc1C#N |
| Stereo: | ACHIRAL |
| logP: | 3.5637 |
| logD: | 3.5469 |
| logSw: | -3.7847 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 37.126 |
| InChI Key: | UTBOPBUNWZUGPG-UHFFFAOYSA-N |