2-{[benzyl(3-tert-butoxy-2-hydroxypropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[benzyl(3-tert-butoxy-2-hydroxypropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[benzyl(3-tert-butoxy-2-hydroxypropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V021-1825 |
| Compound Name: | 2-{[benzyl(3-tert-butoxy-2-hydroxypropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 455.62 |
| Molecular Formula: | C25 H33 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)OCC(CN(CC1NC(c2c3CCCCc3sc2N=1)=O)Cc1ccccc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2867 |
| logD: | 4.2826 |
| logSw: | -4.3525 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.039 |
| InChI Key: | IUIGWPDRVYJASV-SFHVURJKSA-N |