10-[(3-methylphenyl)methyl]-5,5,11-trioxo-N-[(thiophen-2-yl)methyl]-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-[(thiophen-2-yl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-methylphenyl)methyl]-5,5,11-trioxo-N-[(thiophen-2-yl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0610 |
| Compound Name: | 10-[(3-methylphenyl)methyl]-5,5,11-trioxo-N-[(thiophen-2-yl)methyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 502.61 |
| Molecular Formula: | C27 H22 N2 O4 S2 |
| Smiles: | Cc1cccc(CN2C(c3ccccc3S(c3ccc(cc23)C(NCc2cccs2)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8563 |
| logD: | 4.8563 |
| logSw: | -4.5352 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.813 |
| InChI Key: | RDGKQZVOKOWAEY-UHFFFAOYSA-N |