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(2R,10S,12S)-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.0²,¹?.0?,?.0¹?,²?]henicosa-4,6,8,15(20),16,18-hexaene-13,21-dione

(2R,10S,12S)-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.0²,¹?.0?,?.0¹?,²?]henicosa-4,6,8,15(20),16,18-hexaene-13,21-dione

CAS: 81797-27-5

Formula: C23H23N3O2

SMILES: CC(C)(C=C)[C@]12C[C@@H]3N([C@H]1NC1=CC=CC=C21)C(=O)C1=C(NC3=O)C=CC=C1

IUPAC: (2R,10S,12S)-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.0²,¹?.0?,?.0¹?,²?]henicosa-4,6,8,15(20),16,18-hexaene-13,21-dione

InChI: InChI=1S/C23H23N3O2/c1-4-22(2,3)23-13-18-19(27)24-16-11-7-5-9-14(16)20(28)26(18)21(23)25-17-12-8-6-10-15(17)23/h4-12,18,21,25H,1,13H2,2-3H3,(H,24,27)/t18-,21-,23+/m0/s1

Composition: C (73.97%), H (6.21%), N (11.25%), O (8.57%)

Molar Mass: 373.456

Atom Count: 51

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 3
Exact Mass 373.179026993
Formal Charge 0
FSP3 0.3
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey AVLMMDWEIUEKEK-ZEYPLWLESA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.72
Topological Polar Surface Area 61.44
Polarizability 41.07
Ring Count 5
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 81797-27-5 $288.42-$670.80$288.42$670.80
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