Compound C29H37ClN4O6S
2-(diethylamino)ethyl 4-amino-2-chlorobenzoate;3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
| Molecular Formula | C29H37ClN4O6S |
|---|---|
| Molecular Weight | 605.1 g/mol |
| Topological Polar Surface Area | 168.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 604.2122 |
| Heavy Atoms | 41 |
| Complexity | 790.0 |
Chemical Identifiers
| CAS Number | 7179-55-7 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C |
| InChIKey | BYMRPIPIFHDRKX-UHFFFAOYSA-N |
📖 Product Overview
Compound C29H37ClN4O6S (CAS: 7179-55-7) is a chemical compound with molecular formula C29H37ClN4O6S and molecular weight 605.1 g/mol. Its IUPAC systematic name is 2-(diethylamino)ethyl 4-amino-2-chlorobenzoate;3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
BYMRPIPIFHDRKX-UHFFFAOYSA-N.
SMILES: CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.
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