N-{3-[cyclohexyl(methyl)amino]propyl}-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[cyclohexyl(methyl)amino]propyl}-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[cyclohexyl(methyl)amino]propyl}-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1439 |
| Compound Name: | N-{3-[cyclohexyl(methyl)amino]propyl}-10-[(2,5-dimethylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 573.76 |
| Molecular Formula: | C33 H39 N3 O4 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(NCCCN(C)C2CCCCC2)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.3304 |
| logD: | 2.8056 |
| logSw: | -5.0789 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.673 |
| InChI Key: | XVGGQIUBETULMH-UHFFFAOYSA-N |