N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzamide
N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | V012-2983 |
| Compound Name: | N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-4-methyl-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzamide |
| Molecular Weight: | 568.67 |
| Molecular Formula: | C29 H33 F N4 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N(CCN1CCOCC1)CC(N(Cc1ccc(cc1)F)Cc1c(C)ccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6518 |
| logD: | 3.6472 |
| logSw: | -3.9596 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.83 |
| InChI Key: | LWXLVZCEQHBGFM-UHFFFAOYSA-N |