N-{6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-ethylurea
Chemical Structure Depiction of
N-{6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-ethylurea
N-{6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-ethylurea
Compound characteristics
| Compound ID: | V021-6205 |
| Compound Name: | N-{6-[4-(4-bromobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-ethylurea |
| Molecular Weight: | 446.35 |
| Molecular Formula: | C20 H24 Br N5 O2 |
| Smiles: | CCNC(Nc1ccc(nc1)N1CCCN(CC1)C(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7454 |
| logD: | 3.7436 |
| logSw: | -3.7979 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.602 |
| InChI Key: | KGHWJIQKNDXHEG-UHFFFAOYSA-N |