3,3-dimethyl-10-{[(pyrimidin-2-yl)sulfanyl]acetyl}-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-10-{[(pyrimidin-2-yl)sulfanyl]acetyl}-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-10-{[(pyrimidin-2-yl)sulfanyl]acetyl}-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | Y020-2253 |
| Compound Name: | 3,3-dimethyl-10-{[(pyrimidin-2-yl)sulfanyl]acetyl}-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 476.62 |
| Molecular Formula: | C25 H24 N4 O2 S2 |
| Smiles: | CC1(C)CC2=C(C(c3cccs3)N(C(CSc3ncccn3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9554 |
| logD: | 3.6177 |
| logSw: | -4.1029 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.813 |
| InChI Key: | JPQSEAIAMVIHQK-QHCPKHFHSA-N |