4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Chemical Structure Depiction of
4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide
Compound characteristics
| Compound ID: | 8018-0573 |
| Compound Name: | 4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-1-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carbothioamide |
| Molecular Weight: | 546.52 |
| Molecular Formula: | C30 H25 Cl2 N3 O S |
| Smiles: | COc1ccc(cc1)NC(c1c(c2ccccc2)c2CCCCN3C(=Cn1c23)c1ccc(c(c1)[Cl])[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 8.5289 |
| logD: | 8.5289 |
| logSw: | -6.8004 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.6734 |
| InChI Key: | BTGNLNUAVRSTBG-UHFFFAOYSA-N |