1-(3-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(3-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(3-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | V014-9911 |
| Compound Name: | 1-(3-methylphenyl)-8-[2-(morpholin-4-yl)-2-oxoethyl]-3-phenyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 544.69 |
| Molecular Formula: | C29 H28 N4 O3 S2 |
| Smiles: | Cc1cccc(c1)n1c2c(C(c3cccs3)SCC(N2CC(N2CCOCC2)=O)=O)c(c2ccccc2)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4058 |
| logD: | 4.4058 |
| logSw: | -4.2795 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.344 |
| InChI Key: | AIFVZKWULJTECA-NDEPHWFRSA-N |