N-{N'-(5-chloro-2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{N'-(5-chloro-2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-(trifluoromethyl)benzamide
N-{N'-(5-chloro-2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | L088-0343 |
| Compound Name: | N-{N'-(5-chloro-2-methoxyphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}-4-(trifluoromethyl)benzamide |
| Molecular Weight: | 455.86 |
| Molecular Formula: | C21 H21 Cl F3 N3 O3 |
| Smiles: | COc1ccc(cc1/N=C(\NCC1CCCO1)NC(c1ccc(cc1)C(F)(F)F)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0566 |
| logD: | 4.0536 |
| logSw: | -4.5734 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.438 |
| InChI Key: | ZOXCHWSHGRPUFW-MRXNPFEDSA-N |