methyl 3-{[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate
methyl 3-{[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | P221-1049 |
| Compound Name: | methyl 3-{[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}thiophene-2-carboxylate |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C18 H18 N4 O3 S2 |
| Smiles: | COC(c1c(ccs1)NC(N1CCCn2c(C1)cc(c1cccs1)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1074 |
| logD: | 3.1063 |
| logSw: | -3.3571 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.751 |
| InChI Key: | UWLUWXQOXFRGDG-UHFFFAOYSA-N |