2-{[(2-hydroxy-3-phenoxypropyl)(propan-2-yl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{[(2-hydroxy-3-phenoxypropyl)(propan-2-yl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2-{[(2-hydroxy-3-phenoxypropyl)(propan-2-yl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | V016-9992 |
| Compound Name: | 2-{[(2-hydroxy-3-phenoxypropyl)(propan-2-yl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C22 H27 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)N(CC(COc1ccccc1)O)CC1NC(c2c3CCCc3sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4012 |
| logD: | 3.3991 |
| logSw: | -3.9605 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.827 |
| InChI Key: | KHMXSJVYCYHHQP-UHFFFAOYSA-N |