N-(butan-2-yl)-N'-tert-butyl-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea
Chemical Structure Depiction of
N-(butan-2-yl)-N'-tert-butyl-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea
N-(butan-2-yl)-N'-tert-butyl-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea
Compound characteristics
| Compound ID: | V008-6551 |
| Compound Name: | N-(butan-2-yl)-N'-tert-butyl-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)urea |
| Molecular Weight: | 501.07 |
| Molecular Formula: | C26 H37 Cl N6 O2 |
| Salt: | not_available |
| Smiles: | CCC(C)N(CC(N1CCCN(CC1)c1ccc(c2ccccc2[Cl])nn1)=O)C(NC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5192 |
| logD: | 4.5131 |
| logSw: | -4.5683 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.935 |
| InChI Key: | XFZRPGONGOTAEY-IBGZPJMESA-N |