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Chemical ID: 4564870
Chemical ID:
4564870
Name [?]:
None
SMILES [?]:
CCCCOCCCN1CC(=O)N2C(C1=O)Cc3c4ccccc4[nH]c3C2(C)C
InChi [?]:
InChI=1/C23H31N3O3/c1-4-5-12-29-13-8-11-25-15-20(27)26-19(22(25)28)14-17-16-9-6-7-10-18(16)24-21(17)23(26,2)3/h6-7,9-10,19,24H,4-5,8,11-15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,29,2,3,21,22,7,20,23,8,4,6,17,10,19,18,24,14,11,26,15,27,25,9,13,12,16,5/E:(2,3)/rA:29cCCCCOCCCNCCONCCOCCCCCCCCNCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;s13;s9s14;d15;s14;s17;s18;s19;d20;s21;d22;d19s23;s24;d18s25;s13s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H31N3O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5225 |
Area: | 629.257 |
Solvation: | -4.20894 |
Coulombic: | -53.5099 |
Bond Count [?]
All: | 32 |
Single: | 26 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 397.511 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.52 |
LogP (Chemaxon): | 2.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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