2-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
2-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8017-2526 |
| Compound Name: | 2-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 369.49 |
| Molecular Formula: | C18 H23 N7 S |
| Smiles: | CN(C)c1nc(CSc2c(C#N)cc3CCCCCCc3n2)nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9894 |
| logD: | 3.9892 |
| logSw: | -4.3669 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.577 |
| InChI Key: | JVRTVCWAFQWKLP-UHFFFAOYSA-N |