N-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
N-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide
Compound characteristics
| Compound ID: | 8014-0199 |
| Compound Name: | N-(4-chlorophenyl)-4-(4-methoxyphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carboxamide |
| Molecular Weight: | 527.02 |
| Molecular Formula: | C30 H27 Cl N4 O3 |
| Smiles: | COc1ccc(cc1)c1c2CCCCN3C(COc4ccccc4)=Nn(c1C(Nc1ccc(cc1)[Cl])=O)c23 |
| Stereo: | ACHIRAL |
| logP: | 7.1679 |
| logD: | 7.1679 |
| logSw: | -6.5062 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.574 |
| InChI Key: | GOZKUUSIMVAWHD-UHFFFAOYSA-N |