N-(2-methylphenyl)-N'-{6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyridin-3-yl}urea
Chemical Structure Depiction of
N-(2-methylphenyl)-N'-{6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyridin-3-yl}urea
N-(2-methylphenyl)-N'-{6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyridin-3-yl}urea
Compound characteristics
| Compound ID: | V022-9969 |
| Compound Name: | N-(2-methylphenyl)-N'-{6-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pyridin-3-yl}urea |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C22 H29 N5 O2 |
| Smiles: | CC(C)C(N1CCCN(CC1)c1ccc(cn1)NC(Nc1ccccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0367 |
| logD: | 4.0363 |
| logSw: | -3.9161 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.956 |
| InChI Key: | QVPXRMHXJGYPQX-UHFFFAOYSA-N |