N-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
N-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Compound characteristics
| Compound ID: | 8017-8846 |
| Compound Name: | N-(3,4-dichlorophenyl)-4-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide |
| Molecular Weight: | 530.45 |
| Molecular Formula: | C30 H25 Cl2 N3 O2 |
| Smiles: | COc1ccc(cc1)C1=Cn2c(C(Nc3ccc(c(c3)[Cl])[Cl])=O)c(c3ccccc3)c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 8.0615 |
| logD: | 8.0609 |
| logSw: | -6.6228 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.283 |
| InChI Key: | CIELPDMJGMSAKR-UHFFFAOYSA-N |