N-[3-(azepan-1-yl)propyl]-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-[3-(azepan-1-yl)propyl]-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[3-(azepan-1-yl)propyl]-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: | C529-0894 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-10-[(4-fluorophenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 533.67 |
| Molecular Formula: | C30 H32 F N3 O3 S |
| Smiles: | C1CCCN(CC1)CCCNC(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9325 |
| logD: | 1.3619 |
| logSw: | -3.9783 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.353 |
| InChI Key: | AAYVPIIBCSNNBC-UHFFFAOYSA-N |