8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
Compound ID: | C530-0294 |
Compound Name: | 8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-ethyl-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
Molecular Weight: | 456.52 |
Molecular Formula: | C23 H24 N2 O6 S |
Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(N1CCC2(CC1)OCCO2)=O)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.3263 |
logD: | 1.3263 |
logSw: | -2.3474 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 75.462 |
InChI Key: | HNWBRHUNHYOREN-UHFFFAOYSA-N |