11-oxo-N-[3-(pyrrolidin-1-yl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
11-oxo-N-[3-(pyrrolidin-1-yl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
11-oxo-N-[3-(pyrrolidin-1-yl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0145 |
| Compound Name: | 11-oxo-N-[3-(pyrrolidin-1-yl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | C1CCN(C1)CCCNC(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0041 |
| logD: | -0.0284 |
| logSw: | -3.6128 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.779 |
| InChI Key: | CIHKJZSZIIFXQU-UHFFFAOYSA-N |