methyl 4-{[N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazole-6-sulfonyl)glycyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazole-6-sulfonyl)glycyl]amino}benzoate
methyl 4-{[N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazole-6-sulfonyl)glycyl]amino}benzoate
Compound characteristics
| Compound ID: | E667-2227 |
| Compound Name: | methyl 4-{[N-methyl-N-(2,3,4,9-tetrahydro-1H-carbazole-6-sulfonyl)glycyl]amino}benzoate |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C23 H25 N3 O5 S |
| Smiles: | CN(CC(Nc1ccc(cc1)C(=O)OC)=O)S(c1ccc2c(c1)c1CCCCc1[nH]2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.534 |
| logD: | 3.5332 |
| logSw: | -4.0991 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.896 |
| InChI Key: | WWQOPCIQGUZVSG-UHFFFAOYSA-N |