(2-bromo-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
Chemical Structure Depiction of
(2-bromo-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
(2-bromo-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
Compound characteristics
| Compound ID: | C304-2254 |
| Compound Name: | (2-bromo-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone |
| Molecular Weight: | 487.41 |
| Molecular Formula: | C23 H23 Br N2 O3 S |
| Smiles: | CCC1c2cc(ccc2Sc2ccc(cc2N=1)C(N1CCC2(CC1)OCCO2)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.4361 |
| logD: | 4.4354 |
| logSw: | -4.2448 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 39.316 |
| InChI Key: | ZAKLFZUCKLADBG-UHFFFAOYSA-N |