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N-(cyclopropanesulfonyl)-14-(5-methylpyrazine-2-amido)-2,15-dioxo-18-(phenanthridin-6-yloxy)-3,16-diazatricyclo[14.3.0.0?,?]nonadec-7-ene-4-carboxamide

N-(cyclopropanesulfonyl)-14-(5-methylpyrazine-2-amido)-2,15-dioxo-18-(phenanthridin-6-yloxy)-3,16-diazatricyclo[14.3.0.0?,?]nonadec-7-ene-4-carboxamide

CAS: 1216941-48-8

Formula: C40H43N7O7S

SMILES: CC1=CN=C(C=N1)C(=O)NC1CCCCCC=CC2CC2(NC(=O)C2CC(CN2C1=O)OC1=NC2=C(C=CC=C2)C2=C1C=CC=C2)C(=O)NS(=O)(=O)C1CC1

IUPAC: N-(cyclopropanesulfonyl)-14-(5-methylpyrazine-2-amido)-2,15-dioxo-18-(phenanthridin-6-yloxy)-3,16-diazatricyclo[14.3.0.0?,?]nonadec-7-ene-4-carboxamide

InChI: InChI=1/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,

Composition: C (62.73%), H (5.66%), N (12.80%), O (14.62%), S (4.19%)

Molar Mass: 765.89

Atom Count: 98

Heavy Atom Count: 55

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 5
Exact Mass 765.294467927
Formal Charge 0
FSP3 0.42
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 10
Hydrogen Bond Donor Count 3
InChIKey UAUIUKWPKRJZJV-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 200.98
Topological Polar Surface Area 189.65
Polarizability 80.87
Ring Count 8
Rotatable Bond Count 6

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 1216941-48-8 Quote Only