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Chemical ID: 3927945
Chemical ID:
3927945
Name [?]:
N-(4-chlorophenyl)-2-(3-indolin-1-ylcarbonyl-8,8-dimethyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
CC1(C(=O)N(c2cc(ccc2O1)C(=O)N3CCc4c3cccc4)CC(=O)Nc5ccc(cc5)Cl)C
InChi [?]:
InChI=1/C27H24ClN3O4/c1-27(2)26(34)31(16-24(32)29-20-10-8-19(28)9-11-20)22-15-18(7-12-23(22)35-27)25(33)30-14-13-17-5-3-4-6-21(17)30/h3-12,15H,13-14,16H2,1-2H3,(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,35,22,21,23,20,9,30,32,29,33,10,17,16,7,24,18,8,31,28,19,6,11,25,13,3,2,34,27,15,5,26,14,4,12/E:(1,2)(8,9)(10,11)/rA:35nCCCONCCCCCCOCONCCCCCCCCCCONCCCCCCClC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s8;d13;s13;s15;s16;s17;s15s18;d19;s20;d21;d18s22;s5;s24;d25;s25;s27;s28;d29;s30;d31;d28s32;s31;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H24ClN3O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6378 |
Area: | 696.588 |
Solvation: | -4.77685 |
Coulombic: | -63.8364 |
Bond Count [?]
All: | 39 |
Single: | 27 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 489.95 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.75 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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