4-chloro-2-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-0029 |
| Compound Name: | 4-chloro-2-[(N-cyclopropyl-3-methylbutanamido)methyl]phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 478.99 |
| Molecular Formula: | C23 H27 Cl N2 O5 S |
| Smiles: | CC(C)CC(N(Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])C1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3517 |
| logD: | 4.3516 |
| logSw: | -4.524 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.608 |
| InChI Key: | FGOBVHWEINLMAQ-UHFFFAOYSA-N |