7-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1580 |
| Compound Name: | 7-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C17 H22 N2 O5 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(N1CCC2(CC1)OCCO2)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.739 |
| logD: | 1.7386 |
| logSw: | -2.7212 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.538 |
| InChI Key: | MLRKIXMWWXIOEQ-GFCCVEGCSA-N |