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Chemical ID: 3947238
Chemical ID:
3947238
Name [?]:
N-cyclopentyl-10-[(3-fluorophenyl)carbamoylmethyl]-8,8-dimethyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-triene-3-carboxamide
SMILES [?]:
CC1(C(=O)N(c2cc(ccc2O1)C(=O)NC3CCCC3)CC(=O)Nc4cccc(c4)F)C
InChi [?]:
InChI=1/C24H26FN3O4/c1-24(2)23(31)28(14-21(29)26-18-9-5-6-16(25)13-18)19-12-15(10-11-20(19)32-24)22(30)27-17-7-3-4-8-17/h5-6,9-13,17H,3-4,7-8,14H2,1-2H3,(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,32,18,19,27,28,17,20,26,9,10,7,30,21,8,29,16,25,6,11,22,13,3,2,31,24,15,5,23,14,4,12/E:(1,2)(3,4)(7,8)/rA:32nCCCONCCCCCCOCONCCCCCCCONCCCCCCFC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s8;d13;s13;s15;s16;s17;s18;s16s19;s5;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s29;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26FN3O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0479 |
Area: | 650.428 |
Solvation: | -5.21281 |
Coulombic: | -71.5652 |
Bond Count [?]
All: | 35 |
Single: | 26 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 439.479 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.99 |
LogP (Chemaxon): | 2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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