2-methyl-N-[3-(morpholin-4-yl)propyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-methyl-N-[3-(morpholin-4-yl)propyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
2-methyl-N-[3-(morpholin-4-yl)propyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-1333 |
| Compound Name: | 2-methyl-N-[3-(morpholin-4-yl)propyl]-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 437.6 |
| Molecular Formula: | C25 H31 N3 O2 S |
| Smiles: | CCCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCCN1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3209 |
| logD: | 3.9326 |
| logSw: | -4.0496 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.376 |
| InChI Key: | ZOYQEARFKTUXIZ-UHFFFAOYSA-N |