10-benzyl-N-[3-(morpholin-4-yl)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-benzyl-N-[3-(morpholin-4-yl)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-benzyl-N-[3-(morpholin-4-yl)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1519 |
| Compound Name: | 10-benzyl-N-[3-(morpholin-4-yl)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C28 H29 N3 O4 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2=O)=O)=O)CN1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.3006 |
| logD: | 1.9124 |
| logSw: | -3.2459 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.931 |
| InChI Key: | VVTNWEAPKMBZGR-UHFFFAOYSA-N |