N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-4794 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C27 H26 N2 O3 S |
| Smiles: | CCCC1c2ccccc2Sc2ccc(cc2N=1)C(NC(C)c1ccc2c(c1)OCCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.068 |
| logD: | 5.0679 |
| logSw: | -4.5346 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.63 |
| InChI Key: | SGQSMKISYTVROY-KRWDZBQOSA-N |