2-hydroxy-3-{[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)methyl](propyl)amino}propyl butanoate
Chemical Structure Depiction of
2-hydroxy-3-{[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)methyl](propyl)amino}propyl butanoate
2-hydroxy-3-{[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)methyl](propyl)amino}propyl butanoate
Compound characteristics
| Compound ID: | V018-5994 |
| Compound Name: | 2-hydroxy-3-{[(4-oxo-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)methyl](propyl)amino}propyl butanoate |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C20 H29 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCCC(=O)OCC(CN(CCC)CC1NC(c2c3CCCc3sc2N=1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8206 |
| logD: | 2.8164 |
| logSw: | -3.16 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.476 |
| InChI Key: | MQKYKCFFLQWSIN-ZDUSSCGKSA-N |