11-(furan-2-yl)-10-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(furan-2-yl)-10-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(furan-2-yl)-10-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y600-4207 |
| Compound Name: | 11-(furan-2-yl)-10-{2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 478.59 |
| Molecular Formula: | C27 H34 N4 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccco3)N(CC(N3CCN(CC3)CCO)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3418 |
| logD: | 2.2842 |
| logSw: | -2.685 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.997 |
| InChI Key: | MXJQTTAKFQKFOI-SANMLTNESA-N |