CID 142160416

C32H37N3O7Si- — CID 142160416

About CID 142160416

CID 142160416 (PubChem CID 142160416) has the molecular formula C32H37N3O7Si- and a molecular weight of 603.75 g/mol.

Molecular Properties

• Compound Name: CID 142160416
• PubChem CID: 142160416
• Molecular Formula: C32H37N3O7Si-
• Molecular Weight: 603.75 g/mol
• Exact Mass: 603.24
• IUPAC Name: —
• SMILES: C=C[Si-](C)(C)c1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(CC)OC(=O)CCNC(=O)OC(C)(C)C
• InChI: InChI=1S/C32H37N3O7Si/c1-8-32(41-25(36)14-15-33-30(39)42-31(3,4)5)22-16-24-26-20(17-35(24)28(37)21(22)18-40-29(32)38)27(43(6,7)9-2)19-12-10-11-13-23(19)34-26/h9-13,16H,2,8,14-15,17-18H2,1,3-7H3,(H,33,39)/q-1/t32-/m0/s1
• InChIKey: BTIOPFZXLDDURS-YTTGMZPUSA-N
• XLogP: 4.19
• TPSA: 125.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.75
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of CID 142160416?

The IUPAC name of CID 142160416 (CID 142160416) is not available.

What is the SMILES notation for CID 142160416?

The canonical SMILES for CID 142160416 is C=C[Si-](C)(C)c1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(CC)OC(=O)CCNC(=O)OC(C)(C)C.

What is the InChIKey of CID 142160416?

The InChIKey is BTIOPFZXLDDURS-YTTGMZPUSA-N. The full InChI is InChI=1S/C32H37N3O7Si/c1-8-32(41-25(36)14-15-33-30(39)42-31(3,4)5)22-16-24-26-20(17-35(24)28(37)21(22)18-40-29(32)38)27(43(6,7)9-2)19-12-10-11-13-23(19)34-26/h9-13,16H,2,8,14-15,17-18H2,1,3-7H3,(H,33,39)/q-1/t32-/m0/s1.

What are the key properties of CID 142160416?

CID 142160416 has a molecular weight of 603.75 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for CID 142160416 is sourced from PubChem (CID 142160416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).