3-chloro-2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-7-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
3-chloro-2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-7-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one
3-chloro-2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-7-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0257 |
| Compound Name: | 3-chloro-2-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-7-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C23 H19 Cl N2 O4 S |
| Smiles: | Cc1ccc2c(c1)Oc1cc(c(cc1C(N2)=O)S(N1CCc2ccccc2C1)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2248 |
| logD: | 4.8756 |
| logSw: | -5.4757 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.713 |
| InChI Key: | TZJKOMQICRRXCF-UHFFFAOYSA-N |