2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide
Chemical Structure Depiction of
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide
Compound characteristics
Compound ID: | V027-4485 |
Compound Name: | 2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(propan-2-yl)acetamide |
Molecular Weight: | 567.13 |
Molecular Formula: | C28 H27 Cl N4 O3 S2 |
Salt: | not_available |
Smiles: | CC(C)NC(CN1C(CSC(c2c(c3ccc(cc3)[Cl])nn(c3ccc(cc3)OC)c12)c1cccs1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.4875 |
logD: | 5.4875 |
logSw: | -6.0215 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.304 |
InChI Key: | FFJHHLMEVLHRHH-MHZLTWQESA-N |