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Chemical ID: 5973118
Chemical ID:
5973118
Name [?]:
4-(3-acetyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-(4-diethylamino-1-methyl-butyl)-butanamide
SMILES [?]:
CCN(CC)CCCC(C)NC(=O)CCCN1c2cc(ccc2OCC1=O)C(=O)C
InChi [?]:
InChI=1/C23H35N3O4/c1-5-25(6-2)13-7-9-17(3)24-22(28)10-8-14-26-20-15-19(18(4)27)11-12-21(20)30-16-23(26)29/h11-12,15,17H,5-10,13-14,16H2,1-4H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,5,10,30,2,4,7,15,8,14,21,22,6,16,19,25,9,28,20,18,23,12,26,11,3,17,29,13,27,24/E:(1,2)(5,6)/rA:30cCCNCCCCCCCNCOCCCNCCCCCCOCCOCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;d12;s12;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;s17s25;d26;s20;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H35N3O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.328 |
Area: | 709.916 |
Solvation: | -5.41987 |
Coulombic: | -56.4433 |
Bond Count [?]
All: | 31 |
Single: | 25 |
Double: | 6 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 417.542 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.2 |
LogP (Chemaxon): | 0.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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