N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(9-fluorophenanthridin-6-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-1,3-thiazole-5-carboxamide

About N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(9-fluorophenanthridin-6-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-1,3-thiazole-5-carboxamide

N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(9-fluorophenanthridin-6-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-1,3-thiazole-5-carboxamide (PubChem CID 71042003) has the molecular formula C38H39FN6O7S2 and a molecular weight of 774.90 g/mol. Its IUPAC name is N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(9-fluorophenanthridin-6-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name	N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(9-fluorophenanthridin-6-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-1,3-thiazole-5-carboxamide
PubChem CID	71042003
Molecular Formula	C38H39FN6O7S2
Molecular Weight	774.90 g/mol
Exact Mass	774.23
IUPAC Name	N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(9-fluorophenanthridin-6-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-1,3-thiazole-5-carboxamide
SMILES	O=C(N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3nc4ccccc4c4cc(F)ccc34)CN2C1=O)c1cncs1
InChI	InChI=1S/C38H39FN6O7S2/c39-23-12-15-27-28(16-23)26-9-6-7-10-29(26)42-35(27)52-24-17-31-33(46)43-38(37(49)44-54(50,51)25-13-14-25)18-22(38)8-4-2-1-3-5-11-30(36(48)45(31)20-24)41-34(47)32-19-40-21-53-32/h4,6-10,12,15-16,19,21-22,24-25,30-31H,1-3,5,11,13-14,17-18,20H2,(H,41,47)(H,43,46)(H,44,49)/b8-4-/t22-,24-,30+,31+,38-/m1/s1
InChIKey	LPZNHAYUKKDRLC-ULPBQXMLSA-N
XLogP	4.13
TPSA	176.76 Å²
H-Bond Donors	3
H-Bond Acceptors	10
Rotatable Bonds	7
Heavy Atoms	54
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	774.90
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(9-fluorophenanthridin-6-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(9-fluorophenanthridin-6-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-1,3-thiazole-5-carboxamide (CID 71042003) is N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(9-fluorophenanthridin-6-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(9-fluorophenanthridin-6-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(9-fluorophenanthridin-6-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-1,3-thiazole-5-carboxamide is O=C(N[C@H]1CCCCC/C=C\[C@@H]2C[C@@]2(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]2C[C@@H](Oc3nc4ccccc4c4cc(F)ccc34)CN2C1=O)c1cncs1.

What is the InChIKey of N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(9-fluorophenanthridin-6-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-1,3-thiazole-5-carboxamide?

The InChIKey is LPZNHAYUKKDRLC-ULPBQXMLSA-N. The full InChI is InChI=1S/C38H39FN6O7S2/c39-23-12-15-27-28(16-23)26-9-6-7-10-29(26)42-35(27)52-24-17-31-33(46)43-38(37(49)44-54(50,51)25-13-14-25)18-22(38)8-4-2-1-3-5-11-30(36(48)45(31)20-24)41-34(47)32-19-40-21-53-32/h4,6-10,12,15-16,19,21-22,24-25,30-31H,1-3,5,11,13-14,17-18,20H2,(H,41,47)(H,43,46)(H,44,49)/b8-4-/t22-,24-,30+,31+,38-/m1/s1.

What are the key properties of N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(9-fluorophenanthridin-6-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-1,3-thiazole-5-carboxamide?

N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(9-fluorophenanthridin-6-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 774.90 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,4R,6S,7Z,14S,18R)-4-(cyclopropylsulfonylcarbamoyl)-18-(9-fluorophenanthridin-6-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71042003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).