10-[(3-chlorophenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-[(3-chlorophenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | K788-8620 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-8-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 553.03 |
| Molecular Formula: | C28 H25 Cl N2 O6 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2838 |
| logD: | 3.2838 |
| logSw: | -3.9309 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.466 |
| InChI Key: | QEIUDRRTTFEVAF-UHFFFAOYSA-N |