9-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6-ethylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Chemical Structure Depiction of
9-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6-ethylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
9-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6-ethylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Compound characteristics
| Compound ID: | P617-0427 |
| Compound Name: | 9-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6-ethylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)C(N1CCC2(CC1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0076 |
| logD: | 2.0076 |
| logSw: | -2.6785 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.535 |
| InChI Key: | RMUYZDGOCQHRFZ-UHFFFAOYSA-N |