10-[(3-methylphenyl)methyl]-5,5,11-trioxo-N-[3-(pyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-methylphenyl)methyl]-5,5,11-trioxo-N-[3-(pyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-methylphenyl)methyl]-5,5,11-trioxo-N-[3-(pyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0632 |
| Compound Name: | 10-[(3-methylphenyl)methyl]-5,5,11-trioxo-N-[3-(pyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 517.65 |
| Molecular Formula: | C29 H31 N3 O4 S |
| Smiles: | Cc1cccc(CN2C(c3ccccc3S(c3ccc(cc23)C(NCCCN2CCCC2)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8195 |
| logD: | 0.787 |
| logSw: | -3.8899 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.984 |
| InChI Key: | XEFHLTYUAFPMRD-UHFFFAOYSA-N |