N-[3-(butylsulfanyl)propyl]-10-[(3-methylphenyl)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-(butylsulfanyl)propyl]-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[3-(butylsulfanyl)propyl]-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0658 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 536.71 |
| Molecular Formula: | C29 H32 N2 O4 S2 |
| Smiles: | CCCCSCCCNC(c1ccc2c(c1)N(Cc1cccc(C)c1)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3471 |
| logD: | 5.3471 |
| logSw: | -5.1698 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.907 |
| InChI Key: | LYHMGVVPTYJVNH-UHFFFAOYSA-N |