9-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6-propylpyrido[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-propylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
9-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6-propylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one
Compound characteristics
| Compound ID: | P617-0518 |
| Compound Name: | 9-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-6-propylpyrido[2,3-b][1,5]benzothiazepin-5(6H)-one |
| Molecular Weight: | 439.53 |
| Molecular Formula: | C23 H25 N3 O4 S |
| Smiles: | CCCN1C(c2cccnc2Sc2cc(ccc12)C(N1CCC2(CC1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5371 |
| logD: | 2.5371 |
| logSw: | -2.9111 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.788 |
| InChI Key: | XLKNHGZYBQTXMM-UHFFFAOYSA-N |