N-{N'-(3-chloro-4-fluorophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{N'-(3-chloro-4-fluorophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3-methylbenzamide
N-{N'-(3-chloro-4-fluorophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | L088-1026 |
| Compound Name: | N-{N'-(3-chloro-4-fluorophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-3-methylbenzamide |
| Molecular Weight: | 389.86 |
| Molecular Formula: | C20 H21 Cl F N3 O2 |
| Smiles: | Cc1cccc(c1)C(NC(/NCC1CCCO1)=N/c1ccc(c(c1)[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.858 |
| logD: | 3.8499 |
| logSw: | -4.2572 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.506 |
| InChI Key: | RRENGQPQZGAFQL-MRXNPFEDSA-N |