7-([1,4'-bipiperidine]-1'-sulfonyl)-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
7-([1,4'-bipiperidine]-1'-sulfonyl)-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
7-([1,4'-bipiperidine]-1'-sulfonyl)-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | G008-1776 |
| Compound Name: | 7-([1,4'-bipiperidine]-1'-sulfonyl)-3-methyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 423.6 |
| Molecular Formula: | C20 H29 N3 O3 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(N1CCC(CC1)N1CCCCC1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0219 |
| logD: | 0.7628 |
| logSw: | -3.4697 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.251 |
| InChI Key: | UKKZXFQQCAWCMX-OAHLLOKOSA-N |