N-cyclopropyl-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-cyclopropyl-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
N-cyclopropyl-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V025-9930 |
| Compound Name: | N-cyclopropyl-N-(2-{4-[6-(3-methoxyphenyl)pyridazin-3-yl]-1,4-diazepan-1-yl}-2-oxoethyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 529.6 |
| Molecular Formula: | C29 H31 N5 O5 |
| Salt: | not_available |
| Smiles: | COc1cccc(c1)c1ccc(nn1)N1CCCN(CC1)C(CN(C1CC1)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6111 |
| logD: | 3.4412 |
| logSw: | -3.7274 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.332 |
| InChI Key: | LHQYKIHNQKWOEY-UHFFFAOYSA-N |