7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropane-1-sulfonyl]-3-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]-3-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]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | L705-2505 |
| Compound Name: | 7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropane-1-sulfonyl]-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 454.56 |
| Molecular Formula: | C20 H26 N2 O6 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(CCC(N1CCC2(CC1)OCCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.685 |
| logD: | 0.6848 |
| logSw: | -2.4624 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.041 |
| InChI Key: | SGEGWBRNAJFCLU-CQSZACIVSA-N |