N-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N'-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N'-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]thiourea
N-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N'-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | V025-5039 |
| Compound Name: | N-({1-benzyl-2-[(2-fluorophenyl)methanesulfonyl]-1H-imidazol-5-yl}methyl)-N'-(4-methoxyphenyl)-N-[(oxolan-2-yl)methyl]thiourea |
| Molecular Weight: | 608.75 |
| Molecular Formula: | C31 H33 F N4 O4 S2 |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)NC(N(CC1CCCO1)Cc1cnc(n1Cc1ccccc1)S(Cc1ccccc1F)(=O)=O)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3619 |
| logD: | 5.3619 |
| logSw: | -5.1723 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.039 |
| InChI Key: | ZVQXKMWIKHLKFO-MUUNZHRXSA-N |