2-sulfanyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-sulfanyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
2-sulfanyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | 8017-9678 |
| Compound Name: | 2-sulfanyl-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[4,5]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 322.49 |
| Molecular Formula: | C16 H22 N2 O S2 |
| Smiles: | C1CCCCCc2c(CCCC1)c1C(NC(=Nc1s2)S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1555 |
| logD: | 1.3838 |
| logSw: | -5.1051 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 34.887 |
| InChI Key: | CQRDCCOTSDQUNL-UHFFFAOYSA-N |