2-bromo-11-methyl-N-[(oxolan-2-yl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-bromo-11-methyl-N-[(oxolan-2-yl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
2-bromo-11-methyl-N-[(oxolan-2-yl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-2048 |
| Compound Name: | 2-bromo-11-methyl-N-[(oxolan-2-yl)methyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 431.35 |
| Molecular Formula: | C20 H19 Br N2 O2 S |
| Smiles: | CC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCC1CCCO1)=O)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2421 |
| logD: | 4.242 |
| logSw: | -4.2994 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.568 |
| InChI Key: | AZKFHJJOCFLONG-OAHLLOKOSA-N |