10-benzyl-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
10-benzyl-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
10-benzyl-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-1482 |
| Compound Name: | 10-benzyl-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C28 H26 N2 O5 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4987 |
| logD: | 2.4987 |
| logSw: | -3.198 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.87 |
| InChI Key: | KCASKWQWTUYQBT-UHFFFAOYSA-N |