3-[(3-chlorobenzene-1-sulfonyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-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
3-[(3-chlorobenzene-1-sulfonyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide
3-[(3-chlorobenzene-1-sulfonyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-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: | K784-9522 |
| Compound Name: | 3-[(3-chlorobenzene-1-sulfonyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 663.19 |
| Molecular Formula: | C34 H35 Cl N4 O6 S |
| Smiles: | COc1ccc(CCNC(c2ccc(c(c2)NS(c2cccc(c2)[Cl])(=O)=O)N2CC3CC(C2)C2=CC=CC(N2C3)=O)=O)cc1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.593 |
| logD: | 2.5008 |
| logSw: | -4.7191 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.556 |
| InChI Key: | HHYMOMOCULCPQL-UHFFFAOYSA-N |