7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropane-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropane-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropane-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | L705-1326 |
| Compound Name: | 7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropane-1-sulfonyl]-2-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 454.56 |
| Molecular Formula: | C20 H26 N2 O6 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(CCC(N1CCC2(CC1)OCCO2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4798 |
| logD: | 0.4796 |
| logSw: | -2.4634 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.984 |
| InChI Key: | QRHWNDSLMGWFPW-CQSZACIVSA-N |