4-(4-chloro-3-{[N-(2-methoxyethyl)-N-(4-methylbenzene-1-sulfonyl)glycyl]amino}phenyl)-N-(propan-2-yl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-(4-chloro-3-{[N-(2-methoxyethyl)-N-(4-methylbenzene-1-sulfonyl)glycyl]amino}phenyl)-N-(propan-2-yl)piperazine-1-carboxamide
4-(4-chloro-3-{[N-(2-methoxyethyl)-N-(4-methylbenzene-1-sulfonyl)glycyl]amino}phenyl)-N-(propan-2-yl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V008-8002 |
| Compound Name: | 4-(4-chloro-3-{[N-(2-methoxyethyl)-N-(4-methylbenzene-1-sulfonyl)glycyl]amino}phenyl)-N-(propan-2-yl)piperazine-1-carboxamide |
| Molecular Weight: | 566.12 |
| Molecular Formula: | C26 H36 Cl N5 O5 S |
| Salt: | not_available |
| Smiles: | CC(C)NC(N1CCN(CC1)c1ccc(c(c1)NC(CN(CCOC)S(c1ccc(C)cc1)(=O)=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4739 |
| logD: | 3.4699 |
| logSw: | -3.7393 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.684 |
| InChI Key: | ZSMIEQOKKCHOPU-UHFFFAOYSA-N |