benzyl 4-{5-[(3-chloro-4-fluorophenyl)carbamamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate
Chemical Structure Depiction of
benzyl 4-{5-[(3-chloro-4-fluorophenyl)carbamamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate
benzyl 4-{5-[(3-chloro-4-fluorophenyl)carbamamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate
Compound characteristics
| Compound ID: | V028-7369 |
| Compound Name: | benzyl 4-{5-[(3-chloro-4-fluorophenyl)carbamamido]pyridin-2-yl}-1,4-diazepane-1-carboxylate |
| Molecular Weight: | 497.96 |
| Molecular Formula: | C25 H25 Cl F N5 O3 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1ccc(cn1)NC(Nc1ccc(c(c1)[Cl])F)=O)C(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.4074 |
| logD: | 6.3937 |
| logSw: | -6.3697 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.81 |
| InChI Key: | QRPYMFRENWWZBR-UHFFFAOYSA-N |