(3S,8R)-6-(3,4-dihydro-2H-chromene-6-carbonyl)-23-fluoro-14-methoxy-2,12-dioxa-6,9,19-triazatetracyclo[19.3.1.113,17.03,8]hexacosa-1(24),13,15,17(26),21(25),22-hexaene-10,18-dione

C32H32FN3O7 — CID 170510938

About (3S,8R)-6-(3,4-dihydro-2H-chromene-6-carbonyl)-23-fluoro-14-methoxy-2,12-dioxa-6,9,19-triazatetracyclo[19.3.1.113,17.03,8]hexacosa-1(24),13,15,17(26),21(25),22-hexaene-10,18-dione

(3S,8R)-6-(3,4-dihydro-2H-chromene-6-carbonyl)-23-fluoro-14-methoxy-2,12-dioxa-6,9,19-triazatetracyclo[19.3.1.113,17.03,8]hexacosa-1(24),13,15,17(26),21(25),22-hexaene-10,18-dione (PubChem CID 170510938) has the molecular formula C32H32FN3O7 and a molecular weight of 589.62 g/mol. Its IUPAC name is (3S,8R)-6-(3,4-dihydro-2H-chromene-6-carbonyl)-23-fluoro-14-methoxy-2,12-dioxa-6,9,19-triazatetracyclo[19.3.1.113,17.03,8]hexacosa-1(24),13,15,17(26),21(25),22-hexaene-10,18-dione.

Molecular Properties

• Compound Name: (3S,8R)-6-(3,4-dihydro-2H-chromene-6-carbonyl)-23-fluoro-14-methoxy-2,12-dioxa-6,9,19-triazatetracyclo[19.3.1.113,17.03,8]hexacosa-1(24),13,15,17(26),21(25),22-hexaene-10,18-dione
• PubChem CID: 170510938
• Molecular Formula: C32H32FN3O7
• Molecular Weight: 589.62 g/mol
• Exact Mass: 589.22
• IUPAC Name: (3S,8R)-6-(3,4-dihydro-2H-chromene-6-carbonyl)-23-fluoro-14-methoxy-2,12-dioxa-6,9,19-triazatetracyclo[19.3.1.113,17.03,8]hexacosa-1(24),13,15,17(26),21(25),22-hexaene-10,18-dione
• SMILES: COc1ccc2cc1OCC(=O)N[C@@H]1CN(C(=O)c3ccc4c(c3)CCCO4)CC[C@@H]1Oc1cc(F)cc(c1)CNC2=O
• InChI: InChI=1S/C32H32FN3O7/c1-40-28-7-4-21-14-29(28)42-18-30(37)35-25-17-36(32(39)22-5-6-26-20(13-22)3-2-10-41-26)9-8-27(25)43-24-12-19(11-23(33)15-24)16-34-31(21)38/h4-7,11-15,25,27H,2-3,8-10,16-18H2,1H3,(H,34,38)(H,35,37)/t25-,27+/m1/s1
• InChIKey: SYGVMVYKXOJABC-VPUSJEBWSA-N
• XLogP: 3.26
• TPSA: 115.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.62
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S,8R)-6-(3,4-dihydro-2H-chromene-6-carbonyl)-23-fluoro-14-methoxy-2,12-dioxa-6,9,19-triazatetracyclo[19.3.1.113,17.03,8]hexacosa-1(24),13,15,17(26),21(25),22-hexaene-10,18-dione?

The IUPAC name of (3S,8R)-6-(3,4-dihydro-2H-chromene-6-carbonyl)-23-fluoro-14-methoxy-2,12-dioxa-6,9,19-triazatetracyclo[19.3.1.113,17.03,8]hexacosa-1(24),13,15,17(26),21(25),22-hexaene-10,18-dione (CID 170510938) is (3S,8R)-6-(3,4-dihydro-2H-chromene-6-carbonyl)-23-fluoro-14-methoxy-2,12-dioxa-6,9,19-triazatetracyclo[19.3.1.113,17.03,8]hexacosa-1(24),13,15,17(26),21(25),22-hexaene-10,18-dione.

What is the SMILES notation for (3S,8R)-6-(3,4-dihydro-2H-chromene-6-carbonyl)-23-fluoro-14-methoxy-2,12-dioxa-6,9,19-triazatetracyclo[19.3.1.113,17.03,8]hexacosa-1(24),13,15,17(26),21(25),22-hexaene-10,18-dione?

The canonical SMILES for (3S,8R)-6-(3,4-dihydro-2H-chromene-6-carbonyl)-23-fluoro-14-methoxy-2,12-dioxa-6,9,19-triazatetracyclo[19.3.1.113,17.03,8]hexacosa-1(24),13,15,17(26),21(25),22-hexaene-10,18-dione is COc1ccc2cc1OCC(=O)N[C@@H]1CN(C(=O)c3ccc4c(c3)CCCO4)CC[C@@H]1Oc1cc(F)cc(c1)CNC2=O.

What is the InChIKey of (3S,8R)-6-(3,4-dihydro-2H-chromene-6-carbonyl)-23-fluoro-14-methoxy-2,12-dioxa-6,9,19-triazatetracyclo[19.3.1.113,17.03,8]hexacosa-1(24),13,15,17(26),21(25),22-hexaene-10,18-dione?

The InChIKey is SYGVMVYKXOJABC-VPUSJEBWSA-N. The full InChI is InChI=1S/C32H32FN3O7/c1-40-28-7-4-21-14-29(28)42-18-30(37)35-25-17-36(32(39)22-5-6-26-20(13-22)3-2-10-41-26)9-8-27(25)43-24-12-19(11-23(33)15-24)16-34-31(21)38/h4-7,11-15,25,27H,2-3,8-10,16-18H2,1H3,(H,34,38)(H,35,37)/t25-,27+/m1/s1.

What are the key properties of (3S,8R)-6-(3,4-dihydro-2H-chromene-6-carbonyl)-23-fluoro-14-methoxy-2,12-dioxa-6,9,19-triazatetracyclo[19.3.1.113,17.03,8]hexacosa-1(24),13,15,17(26),21(25),22-hexaene-10,18-dione?

(3S,8R)-6-(3,4-dihydro-2H-chromene-6-carbonyl)-23-fluoro-14-methoxy-2,12-dioxa-6,9,19-triazatetracyclo[19.3.1.113,17.03,8]hexacosa-1(24),13,15,17(26),21(25),22-hexaene-10,18-dione has a molecular weight of 589.62 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,8R)-6-(3,4-dihydro-2H-chromene-6-carbonyl)-23-fluoro-14-methoxy-2,12-dioxa-6,9,19-triazatetracyclo[19.3.1.113,17.03,8]hexacosa-1(24),13,15,17(26),21(25),22-hexaene-10,18-dione is sourced from PubChem (CID 170510938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).