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Chemical ID: 4565342
Chemical ID:
4565342
Name [?]:
None
SMILES [?]:
CCOCCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2(C)C
InChi [?]:
InChI=1/C21H27N3O3/c1-4-27-11-7-10-23-13-18(25)24-17(20(23)26)12-15-14-8-5-6-9-16(14)22-19(15)21(24,2)3/h5-6,8-9,17,22H,4,7,10-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,27,2,19,20,5,18,21,6,4,15,8,17,16,22,12,9,24,13,25,23,7,11,10,14,3/E:(2,3)/rA:27cCCOCCCNCCONCCOCCCCCCCCNCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s9;s11;s7s12;d13;s12;s15;s16;s17;d18;s19;d20;d17s21;s22;d16s23;s11s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27N3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1952 |
Area: | 578.105 |
Solvation: | -4.25738 |
Coulombic: | -52.7166 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 369.457 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.6 |
LogP (Chemaxon): | 1.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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