N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N'-(propan-2-yl)thiourea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N'-(propan-2-yl)thiourea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N'-(propan-2-yl)thiourea
Compound characteristics
| Compound ID: | V022-0879 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2-{4-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl}-2-oxoethyl)-N'-(propan-2-yl)thiourea |
| Molecular Weight: | 592.72 |
| Molecular Formula: | C30 H36 N6 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)NC(N(CC(N1CCN(CC1)c1ccc(c2ccc(cc2OC)OC)nn1)=O)Cc1ccc2c(c1)OCO2)=S |
| Stereo: | ACHIRAL |
| logP: | 3.7605 |
| logD: | 3.7576 |
| logSw: | -4.0364 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.873 |
| InChI Key: | IGRJFORHETXVPF-UHFFFAOYSA-N |