3-chloro-2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-chloro-2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
3-chloro-2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0219 |
| Compound Name: | 3-chloro-2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 440.9 |
| Molecular Formula: | C22 H17 Cl N2 O4 S |
| Smiles: | C1CN(Cc2ccccc12)S(c1cc2C(Nc3ccccc3Oc2cc1[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.719 |
| logD: | 4.4326 |
| logSw: | -4.9906 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.713 |
| InChI Key: | UATMISQJBBQQHB-UHFFFAOYSA-N |