10-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0592 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-N-[2-(diethylamino)ethyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 510.05 |
| Molecular Formula: | C27 H28 Cl N3 O3 S |
| Smiles: | CCN(CC)CCNC(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.916 |
| logD: | 2.8022 |
| logSw: | -4.3077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.722 |
| InChI Key: | VOJLVVSOFBPHOU-UHFFFAOYSA-N |