N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N~2~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)valinamide
Chemical Structure Depiction of
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N~2~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)valinamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N~2~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)valinamide
Compound characteristics
| Compound ID: | C464-0841 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-N~2~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)valinamide |
| Molecular Weight: | 501.6 |
| Molecular Formula: | C25 H31 N3 O6 S |
| Smiles: | CCC(N1CCc2cc(ccc12)S(NC(C(C)C)C(NCC1COc2ccccc2O1)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0781 |
| logD: | 3.0778 |
| logSw: | -3.5668 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.35 |
| InChI Key: | DQXCSJWRDGDFBB-UHFFFAOYSA-N |