N-{6-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-(3-methylphenyl)urea
Chemical Structure Depiction of
N-{6-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-(3-methylphenyl)urea
N-{6-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-(3-methylphenyl)urea
Compound characteristics
| Compound ID: | V020-4983 |
| Compound Name: | N-{6-[4-(2H-1,3-benzodioxole-5-carbonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-N'-(3-methylphenyl)urea |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C26 H27 N5 O4 |
| Smiles: | Cc1cccc(c1)NC(Nc1ccc(nc1)N1CCCN(CC1)C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.788 |
| logD: | 4.7879 |
| logSw: | -4.4392 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.497 |
| InChI Key: | SIBTWZBESJBNED-UHFFFAOYSA-N |