5-(3-chlorophenyl)-2-[(cyclohexyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)methyl]thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-(3-chlorophenyl)-2-[(cyclohexyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)methyl]thieno[2,3-d]pyrimidin-4(3H)-one
5-(3-chlorophenyl)-2-[(cyclohexyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)methyl]thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V022-0735 |
| Compound Name: | 5-(3-chlorophenyl)-2-[(cyclohexyl{2-hydroxy-3-[(prop-2-en-1-yl)oxy]propyl}amino)methyl]thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 488.05 |
| Molecular Formula: | C25 H30 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | C=CCOCC(CN(CC1NC(c2c(csc2N=1)c1cccc(c1)[Cl])=O)C1CCCCC1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6453 |
| logD: | 4.6446 |
| logSw: | -4.788 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.623 |
| InChI Key: | SPBGIWYILZOSJD-FQEVSTJZSA-N |