2-(pyrrolidine-1-sulfonyl)-3-(pyrrolidin-1-yl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
2-(pyrrolidine-1-sulfonyl)-3-(pyrrolidin-1-yl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
2-(pyrrolidine-1-sulfonyl)-3-(pyrrolidin-1-yl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0465 |
| Compound Name: | 2-(pyrrolidine-1-sulfonyl)-3-(pyrrolidin-1-yl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | C1CCN(C1)c1cc2c(cc1S(N1CCCC1)(=O)=O)C(Nc1ccccc1O2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7475 |
| logD: | 3.6793 |
| logSw: | -4.0522 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.935 |
| InChI Key: | CTIPIFDAICSKJJ-UHFFFAOYSA-N |