1-cyclohexyl-3-hydroxy-4-(3-nitrophenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Chemical Structure Depiction of
1-cyclohexyl-3-hydroxy-4-(3-nitrophenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
1-cyclohexyl-3-hydroxy-4-(3-nitrophenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Compound characteristics
Compound ID: | 5545-0061 |
Compound Name: | 1-cyclohexyl-3-hydroxy-4-(3-nitrophenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one |
Molecular Weight: | 388.44 |
Molecular Formula: | C18 H20 N4 O4 S |
Smiles: | C1CCC(CC1)n1c2c(C(c3cccc(c3)[N+]([O-])=O)SCC(N2)=O)c(n1)O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.1502 |
logD: | 2.508 |
logSw: | -3.3122 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 89.02 |
InChI Key: | HICMTOVVJSFNBN-MRXNPFEDSA-N |