10-[(3-chlorophenyl)methyl]-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-[(3-chlorophenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-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: | K788-8406 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-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: | 538.07 |
| Molecular Formula: | C28 H28 Cl N3 O4 S |
| Smiles: | C(CNC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O)CN1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9561 |
| logD: | 2.5678 |
| logSw: | -3.8921 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.931 |
| InChI Key: | YXTAMCHAHMVIES-UHFFFAOYSA-N |