N-[2-(dipropylamino)ethyl]-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(dipropylamino)ethyl]-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(dipropylamino)ethyl]-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0898 |
| Compound Name: | N-[2-(dipropylamino)ethyl]-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 521.65 |
| Molecular Formula: | C29 H32 F N3 O3 S |
| Smiles: | CCCN(CCC)CCNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1206 |
| logD: | 2.9723 |
| logSw: | -4.0671 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.229 |
| InChI Key: | WHIBBDCPLYXSTQ-UHFFFAOYSA-N |