N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-5-[(4-methylbenzene-1-sulfonyl)amino]benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-5-[(4-methylbenzene-1-sulfonyl)amino]benzamide
N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-5-[(4-methylbenzene-1-sulfonyl)amino]benzamide
Compound characteristics
| Compound ID: | V005-2555 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-5-[(4-methylbenzene-1-sulfonyl)amino]benzamide |
| Molecular Weight: | 590.67 |
| Molecular Formula: | C31 H31 F N4 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)S(Nc1ccc(c(c1)C(NCc1ccc(cc1)F)=O)N1CCCN(CC1)C(c1ccco1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9 |
| logD: | 4.8429 |
| logSw: | -4.6215 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.818 |
| InChI Key: | QBDVUPOUEJRTHK-UHFFFAOYSA-N |