3-{benzyl[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}-2-hydroxypropyl butanoate
Chemical Structure Depiction of
3-{benzyl[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}-2-hydroxypropyl butanoate
3-{benzyl[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}-2-hydroxypropyl butanoate
Compound characteristics
| Compound ID: | V009-3721 |
| Compound Name: | 3-{benzyl[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}-2-hydroxypropyl butanoate |
| Molecular Weight: | 469.6 |
| Molecular Formula: | C25 H31 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCCC(=O)OCC(CN(CC1NC(c2c3CCCCc3sc2N=1)=O)Cc1ccccc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9551 |
| logD: | 3.9509 |
| logSw: | -4.251 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.86 |
| InChI Key: | AWZWZKDJRNKNGW-SFHVURJKSA-N |