N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-2509 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 462.54 |
| Molecular Formula: | C21 H22 N2 O6 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(CCC(Nc1ccc2c(c1)OCCO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4119 |
| logD: | 1.4115 |
| logSw: | -2.364 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.184 |
| InChI Key: | LTQBTZGBTFUCRM-CYBMUJFWSA-N |