N-[2-(cyclohex-1-en-1-yl)ethyl]-3-{[(2,4-dichlorophenyl)carbamothioyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-{[(2,4-dichlorophenyl)carbamothioyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-{[(2,4-dichlorophenyl)carbamothioyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | K784-4916 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-3-{[(2,4-dichlorophenyl)carbamothioyl]amino}-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 636.64 |
| Molecular Formula: | C33 H35 Cl2 N5 O2 S |
| Smiles: | C1CCC(CCNC(c2ccc(c(c2)NC(Nc2ccc(cc2[Cl])[Cl])=S)N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)=CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.2175 |
| logD: | 7.2169 |
| logSw: | -6.6845 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.963 |
| InChI Key: | LIJFSUDJWTYBHJ-UHFFFAOYSA-N |