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Chemical ID: 3947368
Chemical ID:
3947368
Name [?]:
5-(benzylcarbamoylmethyl)-N-isopropyl-3,3-dimethyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-triene-8-carboxamide
SMILES [?]:
CC(C)NC(=O)c1ccc2c(c1)N(C(=O)C(O2)(C)C)CC(=O)NCc3ccccc3
InChi [?]:
InChI=1/C23H27N3O4/c1-15(2)25-21(28)17-10-11-19-18(12-17)26(22(29)23(3,4)30-19)14-20(27)24-13-16-8-6-5-7-9-16/h5-12,15H,13-14H2,1-4H3,(H,24,27)(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,3,18,19,28,27,29,26,30,8,9,12,24,20,2,25,7,11,10,21,5,14,16,23,4,13,22,6,15,17/E:(1,2)(3,4)(6,7)(8,9)/rA:30nCCCNCOCCCCCCNCOCOCCCCONCCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s10s16;s16;s16;s13;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27N3O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5695 |
Area: | 655.481 |
Solvation: | -4.81754 |
Coulombic: | -68.9632 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 409.478 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.6 |
LogP (Chemaxon): | 1.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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