8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-[(2-fluorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-[(2-fluorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-[(2-fluorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0690 |
| Compound Name: | 8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-[(2-fluorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 520.58 |
| Molecular Formula: | C28 H25 F N2 O5 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6391 |
| logD: | 2.6391 |
| logSw: | -3.4231 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.87 |
| InChI Key: | JITVNOUVEDSQHV-UHFFFAOYSA-N |