N-[(3,4-dimethylphenyl)methyl]-11-methyl-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
Chemical Structure Depiction of
N-[(3,4-dimethylphenyl)methyl]-11-methyl-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
N-[(3,4-dimethylphenyl)methyl]-11-methyl-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide
Compound characteristics
| Compound ID: | P619-0281 |
| Compound Name: | N-[(3,4-dimethylphenyl)methyl]-11-methyl-10-oxo-10,11-dihydropyrido[3,2-b][1,4]benzoxazepine-8-sulfonamide |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C22 H21 N3 O4 S |
| Smiles: | Cc1ccc(CNS(c2ccc3c(c2)C(N(C)c2c(cccn2)O3)=O)(=O)=O)cc1C |
| Stereo: | ACHIRAL |
| logP: | 3.8487 |
| logD: | 3.8484 |
| logSw: | -4.0226 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.691 |
| InChI Key: | BKIAODKRMLBLDT-UHFFFAOYSA-N |