N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y043-4136 |
| Compound Name: | N-(5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-7-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C23 H21 N5 O4 |
| Smiles: | COc1ccccc1c1cc(C(Nc2ccc3c(c2)C(N2CCCC2C(N3)=O)=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3576 |
| logD: | 2.278 |
| logSw: | -3.1424 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.259 |
| InChI Key: | LTKKIDVNYGIBHJ-IBGZPJMESA-N |