1-[7-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[7-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
1-[7-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | G269-0159 |
| Compound Name: | 1-[7-(1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]ethan-1-one |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C18 H24 N2 O5 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(N1CCC2(CC1)OCCO2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0541 |
| logD: | 2.0541 |
| logSw: | -2.5913 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 62.77 |
| InChI Key: | AHIRNVAIUOKVTR-UHFFFAOYSA-N |