N-(4-ethylphenyl)-1,4-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
N-(4-ethylphenyl)-1,4-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
N-(4-ethylphenyl)-1,4-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-8905 |
| Compound Name: | N-(4-ethylphenyl)-1,4-bis(4-methoxyphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 535.71 |
| Molecular Formula: | C33 H33 N3 O2 S |
| Smiles: | CCc1ccc(cc1)NC(c1c(c2ccc(cc2)OC)c2CCCCN3C(=Cn1c23)c1ccc(cc1)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 8.2635 |
| logD: | 8.2635 |
| logSw: | -6.0359 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.2171 |
| InChI Key: | MTIRYCZJKZLTJX-UHFFFAOYSA-N |