N-[(4-fluorophenyl)methyl]-N~2~-(4-methylbenzene-1-sulfonyl)-N~2~-(3-methylbutyl)-N-[(4-oxo-4H-1-benzopyran-3-yl)methyl]glycinamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-N~2~-(4-methylbenzene-1-sulfonyl)-N~2~-(3-methylbutyl)-N-[(4-oxo-4H-1-benzopyran-3-yl)methyl]glycinamide
N-[(4-fluorophenyl)methyl]-N~2~-(4-methylbenzene-1-sulfonyl)-N~2~-(3-methylbutyl)-N-[(4-oxo-4H-1-benzopyran-3-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V002-0375 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-N~2~-(4-methylbenzene-1-sulfonyl)-N~2~-(3-methylbutyl)-N-[(4-oxo-4H-1-benzopyran-3-yl)methyl]glycinamide |
| Molecular Weight: | 564.68 |
| Molecular Formula: | C31 H33 F N2 O5 S |
| Smiles: | CC(C)CCN(CC(N(CC1=COc2ccccc2C1=O)Cc1ccc(cc1)F)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5119 |
| logD: | 5.5119 |
| logSw: | -5.44 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.169 |
| InChI Key: | KVYWTRNIIUVBCZ-UHFFFAOYSA-N |