3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(morpholine-4-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(morpholine-4-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(morpholine-4-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0515 |
| Compound Name: | 3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-(morpholine-4-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Smiles: | C1CN(Cc2ccccc12)c1cc2c(cc1S(N1CCOCC1)(=O)=O)C(Nc1ccccc1O2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1737 |
| logD: | 4.1055 |
| logSw: | -4.2561 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.773 |
| InChI Key: | IHORIJBBFVBBRN-UHFFFAOYSA-N |