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Chemical ID: 6919898
Chemical ID:
6919898
Name [?]:
N-(2-methyl-3-oxo-6-phenyl-2,5-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-4-yl)-1H-indole-2-carboxamide
SMILES [?]:
CN1c2ccccc2C(=NC(C1=O)NC(=O)c3cc4ccccc4[nH]3)c5ccccc5
InChi [?]:
InChI=1/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,29,28,30,21,6,22,5,27,31,20,7,23,4,18,26,19,8,24,17,3,9,11,15,12,25,10,14,2,16,13/E:(3,4)(9,10)/rA:31cCNCCCCCCCNCCONCOCCCCCCCCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s2s11;d12;s11;s14;d15;s15;d17;s18;s19;d20;s21;d22;d19s23;s17s24;s9;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H20N4O2 |
All Atoms: | 51 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.6076 |
Area: | 625.273 |
Solvation: | -3.02421 |
Coulombic: | -60.9343 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 408.452 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.46 |
LogP (Chemaxon): | 3.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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