10-[(3-chlorophenyl)methyl]-5,11-dioxo-N-{3-[(propan-2-yl)oxy]propyl}-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-5,11-dioxo-N-{3-[(propan-2-yl)oxy]propyl}-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-5,11-dioxo-N-{3-[(propan-2-yl)oxy]propyl}-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-8424 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-5,11-dioxo-N-{3-[(propan-2-yl)oxy]propyl}-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 511.04 |
| Molecular Formula: | C27 H27 Cl N2 O4 S |
| Smiles: | CC(C)OCCCNC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9268 |
| logD: | 3.9268 |
| logSw: | -4.2402 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.512 |
| InChI Key: | DMEBVEUDNBQKDC-UHFFFAOYSA-N |