N-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
N-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Compound characteristics
| Compound ID: | 8017-8898 |
| Compound Name: | N-(3-chlorophenyl)-1-(4-methoxyphenyl)-4-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide |
| Molecular Weight: | 510.04 |
| Molecular Formula: | C31 H28 Cl N3 O2 |
| Smiles: | Cc1ccc(cc1)C1=Cn2c(C(Nc3cccc(c3)[Cl])=O)c(c3ccc(cc3)OC)c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 7.8692 |
| logD: | 7.8692 |
| logSw: | -6.5455 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.283 |
| InChI Key: | TYRMTAIFGRQRNL-UHFFFAOYSA-N |