2-{[(3-ethoxy-2-hydroxypropyl)(prop-2-en-1-yl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-ethoxy-2-hydroxypropyl)(prop-2-en-1-yl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
2-{[(3-ethoxy-2-hydroxypropyl)(prop-2-en-1-yl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V016-4692 |
| Compound Name: | 2-{[(3-ethoxy-2-hydroxypropyl)(prop-2-en-1-yl)amino]methyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 391.53 |
| Molecular Formula: | C20 H29 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCOCC(CN(CC=C)CC1NC(c2c3CCC(C)Cc3sc2N=1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6933 |
| logD: | 2.6927 |
| logSw: | -2.911 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.635 |
| InChI Key: | SOHQLOMVALTJQI-UHFFFAOYSA-N |