8-methyl-3-(4-methylpiperazin-1-yl)-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
8-methyl-3-(4-methylpiperazin-1-yl)-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
8-methyl-3-(4-methylpiperazin-1-yl)-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | J030-0910 |
| Compound Name: | 8-methyl-3-(4-methylpiperazin-1-yl)-2-(pyrrolidine-1-sulfonyl)dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C23 H28 N4 O4 S |
| Smiles: | Cc1ccc2c(c1)NC(c1cc(c(cc1O2)N1CCN(C)CC1)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0042 |
| logD: | 2.6376 |
| logSw: | -3.6396 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.045 |
| InChI Key: | MYNIKWFXXXTWSM-UHFFFAOYSA-N |