N-{N'-(3-chloro-4-fluorophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3-methoxybenzamide
Chemical Structure Depiction of
N-{N'-(3-chloro-4-fluorophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3-methoxybenzamide
N-{N'-(3-chloro-4-fluorophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3-methoxybenzamide
Compound characteristics
| Compound ID: | L088-1035 |
| Compound Name: | N-{N'-(3-chloro-4-fluorophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3-methoxybenzamide |
| Molecular Weight: | 405.86 |
| Molecular Formula: | C20 H21 Cl F N3 O3 |
| Smiles: | COc1cccc(c1)C(NC(/NCC1CCCO1)=N/c1ccc(c(c1)[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5491 |
| logD: | 3.5465 |
| logSw: | -4.0784 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.049 |
| InChI Key: | YWGBMJZBUFXTFD-MRXNPFEDSA-N |