1-{4-[6-(propan-2-yl)-2-({[5-(pyrrolidine-1-carbonyl)furan-2-yl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[6-(propan-2-yl)-2-({[5-(pyrrolidine-1-carbonyl)furan-2-yl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
1-{4-[6-(propan-2-yl)-2-({[5-(pyrrolidine-1-carbonyl)furan-2-yl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | V027-3174 |
| Compound Name: | 1-{4-[6-(propan-2-yl)-2-({[5-(pyrrolidine-1-carbonyl)furan-2-yl]methyl}sulfanyl)pyrimidin-4-yl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C23 H31 N5 O3 S |
| Smiles: | CC(C)c1cc(nc(n1)SCc1ccc(C(N2CCCC2)=O)o1)N1CCN(CC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1315 |
| logD: | 4.1312 |
| logSw: | -4.151 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.227 |
| InChI Key: | PVHMTGJTLJBDLZ-UHFFFAOYSA-N |