N-[(furan-2-yl)methyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea
N-[(furan-2-yl)methyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea
Compound characteristics
| Compound ID: | V025-8674 |
| Compound Name: | N-[(furan-2-yl)methyl]-N-(2-{4-[6-(4-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(propan-2-yl)urea |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C27 H34 N6 O4 |
| Smiles: | CC(C)NC(N(CC(N1CCCN(CC1)c1ccc(c2ccc(cc2)OC)nn1)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4539 |
| logD: | 3.4501 |
| logSw: | -3.5718 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.778 |
| InChI Key: | KFYFDZFCUPTUJR-UHFFFAOYSA-N |