N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4-(thiophen-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
Chemical Structure Depiction of
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4-(thiophen-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4-(thiophen-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide
Compound characteristics
| Compound ID: | G281-1372 |
| Compound Name: | N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4-(thiophen-2-yl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepine-5(6H)-carboxamide |
| Molecular Weight: | 499.7 |
| Molecular Formula: | C29 H29 N3 O S2 |
| Smiles: | C1CCc2c(C1)cccc2NC(N1Cc2c3CCCCc3sc2n2cccc2C1c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.92 |
| logD: | 7.92 |
| logSw: | -6.0363 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.1844 |
| InChI Key: | JYZBTIJZYCCVEL-HHHXNRCGSA-N |