10-[(3-chlorophenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-9236 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 554.06 |
| Molecular Formula: | C28 H28 Cl N3 O5 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O)CN1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.0857 |
| logD: | 2.6974 |
| logSw: | -3.8975 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.527 |
| InChI Key: | WWHXVIWERXOJII-UHFFFAOYSA-N |