1-(4-{5-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{5-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperazin-1-yl)ethan-1-one
1-(4-{5-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V027-2481 |
| Compound Name: | 1-(4-{5-[({4-[benzyl(methyl)amino]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperazin-1-yl)ethan-1-one |
| Molecular Weight: | 507.65 |
| Molecular Formula: | C27 H33 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)c1cc(nc(n1)SCc1ccc(C(N2CCN(CC2)C(C)=O)=O)o1)N(C)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8786 |
| logD: | 4.844 |
| logSw: | -4.6402 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.363 |
| InChI Key: | KXITYXIIBBQZPC-UHFFFAOYSA-N |