10-[(2,5-dimethylphenyl)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-[(2,5-dimethylphenyl)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-[(2,5-dimethylphenyl)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: | C529-1012 |
| Compound Name: | 10-[(2,5-dimethylphenyl)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: | 504.65 |
| Molecular Formula: | C29 H32 N2 O4 S |
| Smiles: | CC(C)OCCCNC(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3174 |
| logD: | 4.3174 |
| logSw: | -4.2444 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.512 |
| InChI Key: | XEBCDNSVZUKZFB-UHFFFAOYSA-N |