3,3-dimethyl-10-[2-(morpholin-4-yl)-2-oxoethyl]-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-[2-(morpholin-4-yl)-2-oxoethyl]-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-10-[2-(morpholin-4-yl)-2-oxoethyl]-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | J024-0076 |
| Compound Name: | 3,3-dimethyl-10-[2-(morpholin-4-yl)-2-oxoethyl]-11-(thiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C25 H29 N3 O3 S |
| Smiles: | CC1(C)CC2=C(C(c3cccs3)N(CC(N3CCOCC3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2466 |
| logD: | 3.2136 |
| logSw: | -3.4827 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.9 |
| InChI Key: | HWQTVFGFCZEEEV-DEOSSOPVSA-N |