3-methyl-1-(4-methylphenyl)-4-{4-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
					Chemical Structure Depiction of
3-methyl-1-(4-methylphenyl)-4-{4-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
			3-methyl-1-(4-methylphenyl)-4-{4-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
| Compound ID: | D302-0509 | 
| Compound Name: | 3-methyl-1-(4-methylphenyl)-4-{4-[(propan-2-yl)oxy]phenyl}-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one | 
| Molecular Weight: | 407.53 | 
| Molecular Formula: | C23 H25 N3 O2 S | 
| Smiles: | CC(C)Oc1ccc(cc1)C1c2c(C)nn(c3ccc(C)cc3)c2NC(CS1)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 4.6908 | 
| logD: | 4.6907 | 
| logSw: | -4.2841 | 
| Hydrogen bond acceptors count: | 5 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 46.225 | 
| InChI Key: | UNLGWCNDXCBPMS-JOCHJYFZSA-N | 
 
				 
				