methyl 4-chloro-2-{[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-{[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
methyl 4-chloro-2-{[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | P221-1015 |
| Compound Name: | methyl 4-chloro-2-{[2-(thiophen-2-yl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]amino}benzoate |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C20 H19 Cl N4 O3 S |
| Smiles: | COC(c1ccc(cc1NC(N1CCCn2c(C1)cc(c1cccs1)n2)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9084 |
| logD: | 3.871 |
| logSw: | -4.2853 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.732 |
| InChI Key: | QPQGFXCYNSJJRR-UHFFFAOYSA-N |