3,3-dimethyl-N-[2-(morpholin-4-yl)ethyl]-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}butanamide
Chemical Structure Depiction of
3,3-dimethyl-N-[2-(morpholin-4-yl)ethyl]-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}butanamide
3,3-dimethyl-N-[2-(morpholin-4-yl)ethyl]-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}butanamide
Compound characteristics
| Compound ID: | V006-4825 |
| Compound Name: | 3,3-dimethyl-N-[2-(morpholin-4-yl)ethyl]-N-{2-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}butanamide |
| Molecular Weight: | 541.67 |
| Molecular Formula: | C27 H35 N5 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)CC(N(CCN1CCOCC1)CC(N1C(CC(c2cccs2)=N1)c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0517 |
| logD: | 4.0255 |
| logSw: | -4.0702 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.812 |
| InChI Key: | UKBWNEHXBGGWKZ-HSZRJFAPSA-N |