2-{[(3-tert-butoxy-2-hydroxypropyl)(cyclopropyl)amino]methyl}-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
2-{[(3-tert-butoxy-2-hydroxypropyl)(cyclopropyl)amino]methyl}-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
2-{[(3-tert-butoxy-2-hydroxypropyl)(cyclopropyl)amino]methyl}-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V022-4300 |
| Compound Name: | 2-{[(3-tert-butoxy-2-hydroxypropyl)(cyclopropyl)amino]methyl}-5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 462.01 |
| Molecular Formula: | C23 H28 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)OCC(CN(CC1NC(c2c(csc2N=1)c1ccc(cc1)[Cl])=O)C1CC1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4606 |
| logD: | 4.4605 |
| logSw: | -4.8168 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.314 |
| InChI Key: | XTJHZUWUBXNMCK-KRWDZBQOSA-N |