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-[2-(dimethylamino)ethyl]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-[2-(dimethylamino)ethyl]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-[2-(dimethylamino)ethyl]acetamide
Compound characteristics
| Compound ID: | V007-1474 |
| 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-[2-(dimethylamino)ethyl]acetamide |
| Molecular Weight: | 596.17 |
| Molecular Formula: | C29 H30 Cl N5 O3 S2 |
| Salt: | not_available |
| Smiles: | CN(C)CCNC(CN1C(CSC(c2c(c3ccc(cc3)[Cl])nn(c3ccc(cc3)OC)c12)c1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5795 |
| logD: | 3.2448 |
| logSw: | -4.8004 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.037 |
| InChI Key: | CFQOEZYXNPMYCT-NDEPHWFRSA-N |