N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-(prop-2-en-1-yl)urea
Chemical Structure Depiction of
N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-(prop-2-en-1-yl)urea
N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-(prop-2-en-1-yl)urea
Compound characteristics
| Compound ID: | V015-0582 |
| Compound Name: | N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N'-(4-methylphenyl)-N-(prop-2-en-1-yl)urea |
| Molecular Weight: | 514.63 |
| Molecular Formula: | C29 H34 N6 O3 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)NC(N(CC=C)CC(N1CCCN(CC1)c1ccc(c2cccc(c2)OC)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.257 |
| logD: | 4.087 |
| logSw: | -4.2519 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.711 |
| InChI Key: | SOIMAYAQQUOEQD-UHFFFAOYSA-N |