4-tert-butyl-N-{6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}benzamide
Chemical Structure Depiction of
4-tert-butyl-N-{6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}benzamide
4-tert-butyl-N-{6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}benzamide
Compound characteristics
| Compound ID: | V012-0645 |
| Compound Name: | 4-tert-butyl-N-{6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}benzamide |
| Molecular Weight: | 516.64 |
| Molecular Formula: | C30 H36 N4 O4 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1ccc(nc1)N1CCCN(CC1)C(c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2738 |
| logD: | 5.2733 |
| logSw: | -5.0772 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.431 |
| InChI Key: | PWDSFGMXCZFYKW-UHFFFAOYSA-N |