ethyl 4-(2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carbonyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carbonyl)piperazine-1-carboxylate
ethyl 4-(2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carbonyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C304-1398 |
| Compound Name: | ethyl 4-(2-methyl-11-propyldibenzo[b,f][1,4]thiazepine-8-carbonyl)piperazine-1-carboxylate |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | CCCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(N1CCN(CC1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9942 |
| logD: | 4.9931 |
| logSw: | -4.503 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.659 |
| InChI Key: | AFFGQXYMMQUXOS-UHFFFAOYSA-N |