1-(2-chlorophenyl)-4-(3-chlorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(2-chlorophenyl)-4-(3-chlorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(2-chlorophenyl)-4-(3-chlorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V005-9281 |
| Compound Name: | 1-(2-chlorophenyl)-4-(3-chlorophenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 599.56 |
| Molecular Formula: | C28 H24 Cl2 N4 O3 S2 |
| Smiles: | C1COCCN1C(CN1C(CSC(c2cccc(c2)[Cl])c2c(c3cccs3)nn(c3ccccc3[Cl])c12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4045 |
| logD: | 5.4045 |
| logSw: | -5.9888 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.043 |
| InChI Key: | ODYSJBJQTVKOQT-HHHXNRCGSA-N |