1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D361-2153 |
| Compound Name: | 1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophen-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
| Molecular Weight: | 389.92 |
| Molecular Formula: | C18 H16 Cl N3 O S2 |
| Smiles: | Cc1c(cccc1[Cl])n1c2c(C(c3cccs3)SCC(N2)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3477 |
| logD: | 4.3468 |
| logSw: | -4.3702 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.14 |
| InChI Key: | ZYZUXKKAAVZVNP-KRWDZBQOSA-N |