10-[(3-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
Chemical Structure Depiction of
10-[(3-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
10-[(3-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid
Compound characteristics
| Compound ID: | K783-4229 |
| Compound Name: | 10-[(3-methylphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxylic acid |
| Molecular Weight: | 375.44 |
| Molecular Formula: | C22 H17 N O3 S |
| Smiles: | Cc1cccc(CN2C(c3ccccc3Sc3ccc(cc23)C(O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.817 |
| logD: | 3.1318 |
| logSw: | -5.2581 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.809 |
| InChI Key: | PQHHLEZRRVNGTF-UHFFFAOYSA-N |