N-{N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-methylbenzamide
Chemical Structure Depiction of
N-{N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-methylbenzamide
N-{N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | L088-1405 |
| Compound Name: | N-{N'-(3-bromophenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-methylbenzamide |
| Molecular Weight: | 416.32 |
| Molecular Formula: | C20 H22 Br N3 O2 |
| Smiles: | Cc1ccc(cc1)C(NC(/NCC1CCCO1)=N/c1cccc(c1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1092 |
| logD: | 4.101 |
| logSw: | -4.2069 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.506 |
| InChI Key: | YBVIXAABMJSHKR-GOSISDBHSA-N |