10-[(2-chloro-6-fluorophenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
10-[(2-chloro-6-fluorophenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
10-[(2-chloro-6-fluorophenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | C380-0609 |
| Compound Name: | 10-[(2-chloro-6-fluorophenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 539.02 |
| Molecular Formula: | C28 H24 Cl F N2 O4 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc2c(c1)N(Cc1c(cccc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7133 |
| logD: | 4.7133 |
| logSw: | -4.8712 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.486 |
| InChI Key: | PWVSBKCHWVWBPW-UHFFFAOYSA-N |