Chemical ID: 3947230

CC1(C(=O)N(c2cc(ccc2O1)C(=O)NC(C)(C)C)Cc3ccc(cc3Cl)Cl)C
Chemical ID:
3947230
Name [?]:
10-[(2,4-dichlorophenyl)methyl]-8,8-dimethyl-9-oxo-N-tert-butyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-triene-3-carboxamide
SMILES [?]:
CC1(C(=O)N(c2cc(ccc2O1)C(=O)NC(C)(C)C)Cc3ccc(cc3Cl)Cl)C
InChi [?]:
InChI=1/C22H24Cl2N2O3/c1-21(2,3)25-19(27)13-7-9-18-17(10-13)26(20(28)22(4,5)29-18)12-14-6-8-15(23)11-16(14)24/h6-11H,12H2,1-5H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:17,18,19,1,29,22,9,23,10,7,25,20,8,21,24,26,6,11,13,3,16,2,28,27,15,5,14,4,12/E:(1,2,3)(4,5)/rA:29nCCCONCCCCCCOCONCCCCCCCCCCCClClC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s8;d13;s13;s15;s16;s16;s16;s5;s20;s21;d22;s23;d24;d21s25;s26;s24;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24Cl2N2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.2706
Area:618.654
Solvation:-3.1958
Coulombic:-49.0853
Bond Count [?]
All:31
Single:23
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:435.343
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.09
LogP (Chemaxon):3.88

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