2-({[2-hydroxy-3-(2-methylpropoxy)propyl](3-methoxypropyl)amino}methyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-({[2-hydroxy-3-(2-methylpropoxy)propyl](3-methoxypropyl)amino}methyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
2-({[2-hydroxy-3-(2-methylpropoxy)propyl](3-methoxypropyl)amino}methyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | V017-5047 |
| Compound Name: | 2-({[2-hydroxy-3-(2-methylpropoxy)propyl](3-methoxypropyl)amino}methyl)-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 451.63 |
| Molecular Formula: | C23 H37 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)COCC(CN(CCCOC)CC1NC(c2c3CCCCCc3sc2N=1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2618 |
| logD: | 3.261 |
| logSw: | -3.5887 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.684 |
| InChI Key: | QRLNJXSOXLZBGY-KRWDZBQOSA-N |