N-[(4-fluorophenyl)methyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)thiourea
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)thiourea
N-[(4-fluorophenyl)methyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)thiourea
Compound characteristics
| Compound ID: | V023-4828 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)thiourea |
| Molecular Weight: | 550.7 |
| Molecular Formula: | C29 H35 F N6 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)NC(N(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)OC)nn1)=O)Cc1ccc(cc1)F)=S |
| Stereo: | ACHIRAL |
| logP: | 4.3996 |
| logD: | 4.3958 |
| logSw: | -4.159 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.458 |
| InChI Key: | GDOTZHUKPNCGGE-UHFFFAOYSA-N |