N-(butan-2-yl)-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
N-(butan-2-yl)-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V008-5671 |
| Compound Name: | N-(butan-2-yl)-N-(2-{4-[6-(2-chlorophenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 550.06 |
| Molecular Formula: | C29 H32 Cl N5 O4 |
| Smiles: | CCC(C)N(CC(N1CCCN(CC1)c1ccc(c2ccccc2[Cl])nn1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5277 |
| logD: | 4.5216 |
| logSw: | -4.5677 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.812 |
| InChI Key: | LSNDQXUHNSPQMS-FQEVSTJZSA-N |