N-{[4-(dimethylamino)phenyl]methyl}-3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamide
Chemical Structure Depiction of
N-{[4-(dimethylamino)phenyl]methyl}-3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamide
N-{[4-(dimethylamino)phenyl]methyl}-3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E975-1240 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-3-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)propanamide |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C20 H23 N3 O5 S |
| Smiles: | CN(C)c1ccc(CNC(CCS(c2ccc3c(c2)OC(N3C)=O)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.3208 |
| logD: | 1.3054 |
| logSw: | -2.4965 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.145 |
| InChI Key: | IJDRITPBDBRQLG-UHFFFAOYSA-N |