N'-ethyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]urea
Chemical Structure Depiction of
N'-ethyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]urea
N'-ethyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]urea
Compound characteristics
| Compound ID: | V028-0597 |
| Compound Name: | N'-ethyl-N-(2-{4-[6-(4-methylphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-[2-(morpholin-4-yl)ethyl]urea |
| Molecular Weight: | 509.65 |
| Molecular Formula: | C27 H39 N7 O3 |
| Salt: | not_available |
| Smiles: | CCNC(N(CCN1CCOCC1)CC(N1CCCN(CC1)c1ccc(c2ccc(C)cc2)nn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9488 |
| logD: | 1.1981 |
| logSw: | -2.4075 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.006 |
| InChI Key: | MXMLRHCLCNRGLT-UHFFFAOYSA-N |