2-(azepane-1-sulfonyl)-3-chloro-7-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
2-(azepane-1-sulfonyl)-3-chloro-7-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one
2-(azepane-1-sulfonyl)-3-chloro-7-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0253 |
| Compound Name: | 2-(azepane-1-sulfonyl)-3-chloro-7-methyldibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 420.91 |
| Molecular Formula: | C20 H21 Cl N2 O4 S |
| Smiles: | Cc1ccc2c(c1)Oc1cc(c(cc1C(N2)=O)S(N1CCCCCC1)(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6817 |
| logD: | 4.3325 |
| logSw: | -4.833 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.382 |
| InChI Key: | RJLNOSGEGCWVRO-UHFFFAOYSA-N |