5-(4-chlorophenyl)-2-{[(3-methylbutyl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
5-(4-chlorophenyl)-2-{[(3-methylbutyl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one
5-(4-chlorophenyl)-2-{[(3-methylbutyl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | V031-2193 |
| Compound Name: | 5-(4-chlorophenyl)-2-{[(3-methylbutyl)amino]methyl}thieno[2,3-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 361.89 |
| Molecular Formula: | C18 H20 Cl N3 O S |
| Salt: | not_available |
| Smiles: | CC(C)CCNCC1NC(c2c(csc2N=1)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8955 |
| logD: | 3.815 |
| logSw: | -4.8963 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.682 |
| InChI Key: | DSHHAQUMMDIINJ-UHFFFAOYSA-N |