10-[(4-chlorophenyl)methyl]-5,11-dioxo-N,N-dipropyl-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-5,11-dioxo-N,N-dipropyl-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-5,11-dioxo-N,N-dipropyl-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0530 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-5,11-dioxo-N,N-dipropyl-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 495.04 |
| Molecular Formula: | C27 H27 Cl N2 O3 S |
| Smiles: | CCCN(CCC)C(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8096 |
| logD: | 4.8096 |
| logSw: | -4.7908 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.224 |
| InChI Key: | OZFDNVOGSFNCQK-UHFFFAOYSA-N |