2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(2-methylpropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(2-methylpropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(2-methylpropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V017-7115 |
| Compound Name: | 2-{[{2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}(2-methylpropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C21 H29 N3 O3 S |
| Smiles: | CC(C)CN(CC(COCC#C)O)CC1NC(c2c3CCCCc3sc2N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8305 |
| logD: | 2.8297 |
| logSw: | -3.177 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.951 |
| InChI Key: | CICLVJFPVQSSGT-HNNXBMFYSA-N |