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Chemical ID: 5973083
Chemical ID:
5973083
Name [?]:
2-(3-acetyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-[3-(2-methyl-1-piperidyl)propyl]acetamide
SMILES [?]:
CC1CCCCN1CCCNC(=O)CN2c3cc(ccc3OCC2=O)C(=O)C
InChi [?]:
InChI=1/C21H29N3O4/c1-15-6-3-4-10-23(15)11-5-9-22-20(26)13-24-18-12-17(16(2)25)7-8-19(18)28-14-21(24)27/h7-8,12,15H,3-6,9-11,13-14H2,1-2H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,28,4,5,9,3,19,20,10,6,8,17,14,23,2,26,18,16,21,12,24,11,7,15,27,13,25,22/rA:28cCCCCCCNCCCNCOCNCCCCCCOCCOCOC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s22;s15s23;d24;s18;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H29N3O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.1381 |
Area: | 619.92 |
Solvation: | -5.35991 |
Coulombic: | -56.7286 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 387.473 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.34 |
LogP (Chemaxon): | 0.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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