8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-[(4-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-[(4-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-[(4-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | K788-1622 |
| Compound Name: | 8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-[(4-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 504.58 |
| Molecular Formula: | C28 H25 F N2 O4 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2669 |
| logD: | 4.2669 |
| logSw: | -4.3312 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.486 |
| InChI Key: | LLFGDBPOQXPESS-UHFFFAOYSA-N |