2-hydroxy-3-{(2-methoxyethyl)[(7-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}propyl butanoate
Chemical Structure Depiction of
2-hydroxy-3-{(2-methoxyethyl)[(7-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}propyl butanoate
2-hydroxy-3-{(2-methoxyethyl)[(7-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}propyl butanoate
Compound characteristics
| Compound ID: | V017-4901 |
| Compound Name: | 2-hydroxy-3-{(2-methoxyethyl)[(7-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)methyl]amino}propyl butanoate |
| Molecular Weight: | 451.58 |
| Molecular Formula: | C22 H33 N3 O5 S |
| Salt: | not_available |
| Smiles: | CCCC(=O)OCC(CN(CCOC)CC1NC(c2c3CCC(C)Cc3sc2N=1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7984 |
| logD: | 2.7976 |
| logSw: | -3.1158 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.453 |
| InChI Key: | DAGNRSDPBQCPNC-UHFFFAOYSA-N |