N-{6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-(2,3-dimethylphenyl)urea
Chemical Structure Depiction of
N-{6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-(2,3-dimethylphenyl)urea
N-{6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-(2,3-dimethylphenyl)urea
Compound characteristics
| Compound ID: | V021-6217 |
| Compound Name: | N-{6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-(2,3-dimethylphenyl)urea |
| Molecular Weight: | 503.6 |
| Molecular Formula: | C28 H33 N5 O4 |
| Smiles: | Cc1cccc(c1C)NC(Nc1ccc(nc1)N1CCCN(CC1)C(c1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7613 |
| logD: | 4.7612 |
| logSw: | -4.38 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.945 |
| InChI Key: | PSJYWSCDYXFLSY-UHFFFAOYSA-N |