N-(2-{[4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)-4-methoxy-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
N-(2-{[4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)-4-methoxy-N-(2-methylpropyl)benzamide
N-(2-{[4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)-4-methoxy-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V002-2228 |
| Compound Name: | N-(2-{[4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-1,3-thiazol-2-yl]amino}-2-oxoethyl)-4-methoxy-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 607.73 |
| Molecular Formula: | C31 H37 N5 O6 S |
| Salt: | not_available |
| Smiles: | CC(C)CN(CC(Nc1nc(CC(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)cs1)=O)C(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7614 |
| logD: | 3.4437 |
| logSw: | -4.0986 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.461 |
| InChI Key: | CYWVMXKTJSNUGH-UHFFFAOYSA-N |