2-{[{2-hydroxy-3-[(prop-2-en-1-yl)oxy]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-[(prop-2-en-1-yl)oxy]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-[(prop-2-en-1-yl)oxy]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: | V017-5056 |
| Compound Name: | 2-{[{2-hydroxy-3-[(prop-2-en-1-yl)oxy]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: | 435.59 |
| Molecular Formula: | C22 H33 N3 O4 S |
| Salt: | not_available |
| Smiles: | COCCCN(CC(COCC=C)O)CC1NC(c2c3CCCCCc3sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5589 |
| logD: | 2.5581 |
| logSw: | -2.8083 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.602 |
| InChI Key: | WYZDCGLYBGSYPH-INIZCTEOSA-N |