6-{3-[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-3-oxopropane-1-sulfonyl}-3,4-dihydroquinolin-2(1H)-one
Chemical Structure Depiction of
6-{3-[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-3-oxopropane-1-sulfonyl}-3,4-dihydroquinolin-2(1H)-one
6-{3-[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-3-oxopropane-1-sulfonyl}-3,4-dihydroquinolin-2(1H)-one
Compound characteristics
| Compound ID: | P218-3482 |
| Compound Name: | 6-{3-[2-(4-methoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-3-oxopropane-1-sulfonyl}-3,4-dihydroquinolin-2(1H)-one |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C26 H28 N4 O5 S |
| Smiles: | COc1ccc(cc1)c1cc2CN(CCCn2n1)C(CCS(c1ccc2c(CCC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8457 |
| logD: | 1.8452 |
| logSw: | -2.7077 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.291 |
| InChI Key: | GSFDFSZIHXNZHO-UHFFFAOYSA-N |