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Chemical ID: 7267174
Chemical ID:
7267174
Name [?]:
None
SMILES [?]:
CN(Cc1ccco1)C(=O)CN2C(=O)C3(CCc4c3cccc4)NC2=O
InChi [?]:
InChI=1/C19H19N3O4/c1-21(11-14-6-4-10-26-14)16(23)12-22-17(24)19(20-18(22)25)9-8-13-5-2-3-7-15(13)19/h2-7,10H,8-9,11-12H2,1H3,(H,20,25)
InChi Info:
AuxInfo=1/1/N:1,22,21,6,23,5,20,17,16,7,3,11,18,4,19,9,13,25,15,24,2,12,10,14,26,8/rA:26cCNCCCCCOCOCNCOCCCCCCCCCNCO/rB:s1;s2;s3;d4;s5;d6;s4s7;s2;d9;s9;s11;s12;d13;s13;s15;s16;s17;s15s18;d19;s20;d21;d18s22;s15;s12s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19N3O4 |
All Atoms: | 45 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.23517 |
Area: | 547.595 |
Solvation: | -4.45472 |
Coulombic: | -63.4383 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 353.372 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.42 |
LogP (Chemaxon): | 1.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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