4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Chemical Structure Depiction of
4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Compound characteristics
| Compound ID: | IB02-4333 |
| Compound Name: | 4-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide |
| Molecular Weight: | 558.51 |
| Molecular Formula: | C32 H29 Cl2 N3 O2 |
| Smiles: | CCc1ccc(cc1)c1c2CCCCN3C(=Cn(c1C(Nc1cccc(c1)OC)=O)c23)c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 8.99 |
| logD: | 8.99 |
| logSw: | -8.72 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.29 |
| InChI Key: | UZOQACFQHRPUQY-UHFFFAOYSA-N |