N-[3-(butylsulfanyl)propyl]-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[3-(butylsulfanyl)propyl]-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[3-(butylsulfanyl)propyl]-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1978 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-10-ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 444.61 |
| Molecular Formula: | C23 H28 N2 O3 S2 |
| Smiles: | CCCCSCCCNC(c1ccc2c(c1)N(CC)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2689 |
| logD: | 3.2689 |
| logSw: | -3.8112 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.307 |
| InChI Key: | IHJPEZGTMQJQES-UHFFFAOYSA-N |