N-benzyl-4-(4-methoxyphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Chemical Structure Depiction of
N-benzyl-4-(4-methoxyphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
N-benzyl-4-(4-methoxyphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide
Compound characteristics
| Compound ID: | 8013-6976 |
| Compound Name: | N-benzyl-4-(4-methoxyphenyl)-1-(phenoxymethyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene-3-carbothioamide |
| Molecular Weight: | 522.67 |
| Molecular Formula: | C31 H30 N4 O2 S |
| Smiles: | COc1ccc(cc1)c1c2CCCCN3C(COc4ccccc4)=Nn(c1C(NCc1ccccc1)=S)c23 |
| Stereo: | ACHIRAL |
| logP: | 6.779 |
| logD: | 6.779 |
| logSw: | -5.9382 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.286 |
| InChI Key: | MMNIVVBGUVDGHZ-UHFFFAOYSA-N |