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Chemical ID: 4575864
Chemical ID:
4575864
Name [?]:
None
SMILES [?]:
CC1c2c(c3ccccc3[nH]2)CC4N1C(=O)CN(C4=O)CCCOC
InChi [?]:
InChI=1/C19H23N3O3/c1-12-18-14(13-6-3-4-7-15(13)20-18)10-16-19(24)21(8-5-9-25-2)11-17(23)22(12)16/h3-4,6-7,12,16,20H,5,8-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,7,8,22,6,9,21,23,12,17,2,5,4,10,13,15,3,19,11,18,14,16,20,24/rA:25cCCCCCCCCCCNCCNCOCNCOCCCOC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s4;s12;s2s13;s14;d15;s15;s17;s13s18;d19;s18;s21;s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.08402 |
Area: | 543.584 |
Solvation: | -4.50557 |
Coulombic: | -52.2474 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 341.404 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.06 |
LogP (Chemaxon): | 0.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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