2-{[(2-hydroxy-3-phenoxypropyl)(prop-2-en-1-yl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(2-hydroxy-3-phenoxypropyl)(prop-2-en-1-yl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(2-hydroxy-3-phenoxypropyl)(prop-2-en-1-yl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V016-9928 |
| Compound Name: | 2-{[(2-hydroxy-3-phenoxypropyl)(prop-2-en-1-yl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C23 H27 N3 O3 S |
| Salt: | not_available |
| Smiles: | C=CCN(CC(COc1ccccc1)O)CC1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6993 |
| logD: | 3.6987 |
| logSw: | -4.2465 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.804 |
| InChI Key: | SQTXOHKJSBOFLH-INIZCTEOSA-N |