1,4-bis(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
1,4-bis(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
1,4-bis(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8017-8885 |
| Compound Name: | 1,4-bis(4-methoxyphenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 507.65 |
| Molecular Formula: | C31 H29 N3 O2 S |
| Smiles: | COc1ccc(cc1)C1=Cn2c(C(Nc3ccccc3)=S)c(c3ccc(cc3)OC)c3CCCCN1c23 |
| Stereo: | ACHIRAL |
| logP: | 7.1411 |
| logD: | 7.1411 |
| logSw: | -5.9358 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.2171 |
| InChI Key: | LLLPYWZLSIVCKI-UHFFFAOYSA-N |