2-(pentylsulfanyl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
Chemical Structure Depiction of
2-(pentylsulfanyl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
2-(pentylsulfanyl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | D467-0107 |
| Compound Name: | 2-(pentylsulfanyl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one |
| Molecular Weight: | 252.38 |
| Molecular Formula: | C13 H20 N2 O S |
| Smiles: | CCCCCSC1NC(C2CCCCC=2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.596 |
| logD: | 3.3747 |
| logSw: | -3.5544 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.743 |
| InChI Key: | IPWGOCLLJQHTEA-UHFFFAOYSA-N |