3-(1,3-benzothiazol-2-yl)-N-{[1-(cyclopropylmethyl)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a(2H)-yl]methyl}propanamide
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-N-{[1-(cyclopropylmethyl)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a(2H)-yl]methyl}propanamide
3-(1,3-benzothiazol-2-yl)-N-{[1-(cyclopropylmethyl)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a(2H)-yl]methyl}propanamide
Compound characteristics
| Compound ID: | S570-0357 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-N-{[1-(cyclopropylmethyl)-2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a(2H)-yl]methyl}propanamide |
| Molecular Weight: | 423.58 |
| Molecular Formula: | C24 H29 N3 O2 S |
| Smiles: | C1CC=C2C(C1)(CCC(N2CC1CC1)=O)CNC(CCc1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6346 |
| logD: | 4.6344 |
| logSw: | -4.5736 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.569 |
| InChI Key: | OUUYIKAGTDMCHF-DEOSSOPVSA-N |