10-[(2-methylphenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-methylphenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-methylphenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1158 |
| Compound Name: | 10-[(2-methylphenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 501.65 |
| Molecular Formula: | C29 H31 N3 O3 S |
| Smiles: | Cc1ccccc1CN1C(c2ccccc2Sc2ccc(cc12)C(NCCCN1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6584 |
| logD: | 4.2702 |
| logSw: | -4.1803 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.547 |
| InChI Key: | BKZWTDSEUPHOEH-UHFFFAOYSA-N |