N~2~-(4-acetamidobenzene-1-sulfonyl)-N-benzyl-N~2~-(3-methylbutyl)-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]glycinamide
Chemical Structure Depiction of
N~2~-(4-acetamidobenzene-1-sulfonyl)-N-benzyl-N~2~-(3-methylbutyl)-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]glycinamide
N~2~-(4-acetamidobenzene-1-sulfonyl)-N-benzyl-N~2~-(3-methylbutyl)-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V001-5504 |
| Compound Name: | N~2~-(4-acetamidobenzene-1-sulfonyl)-N-benzyl-N~2~-(3-methylbutyl)-N-[(6-methyl-4-oxo-4H-1-benzopyran-3-yl)methyl]glycinamide |
| Molecular Weight: | 603.74 |
| Molecular Formula: | C33 H37 N3 O6 S |
| Smiles: | CC(C)CCN(CC(N(CC1=COc2ccc(C)cc2C1=O)Cc1ccccc1)=O)S(c1ccc(cc1)NC(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6688 |
| logD: | 4.6685 |
| logSw: | -4.2987 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.431 |
| InChI Key: | KLMLSKUKIUSGEY-UHFFFAOYSA-N |