10-[(3-chlorophenyl)methyl]-N-[3-(cyclohexylsulfanyl)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-[3-(cyclohexylsulfanyl)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-[3-(cyclohexylsulfanyl)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-8356 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-[3-(cyclohexylsulfanyl)propyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 567.17 |
| Molecular Formula: | C30 H31 Cl N2 O3 S2 |
| Smiles: | C1CCC(CC1)SCCCNC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7777 |
| logD: | 5.7777 |
| logSw: | -5.8774 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.232 |
| InChI Key: | UZFQOZOLQZYXDL-UHFFFAOYSA-N |