Chemical ID: 3947249

CC(C)NC(=O)CN1c2cc(ccc2OC(C1=O)(C)C)C(=O)NC3CCCCC3
Chemical ID:
3947249
Name [?]:
N-cyclohexyl-10-(isopropylcarbamoylmethyl)-8,8-dimethyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-triene-3-carboxamide
SMILES [?]:
CC(C)NC(=O)CN1c2cc(ccc2OC(C1=O)(C)C)C(=O)NC3CCCCC3
InChi [?]:
InChI=1/C22H31N3O4/c1-14(2)23-19(26)13-25-17-12-15(20(27)24-16-8-6-5-7-9-16)10-11-18(17)29-22(3,4)21(25)28/h10-12,14,16H,5-9,13H2,1-4H3,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,3,19,20,27,26,28,25,29,12,13,10,7,2,11,24,9,14,5,21,17,16,4,23,8,6,22,18,15/E:(1,2)(3,4)(6,7)(8,9)/rA:29nCCCNCOCNCCCCCCOCCOCCCONCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s8s16;d17;s16;s16;s11;d21;s21;s23;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H31N3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.5771
Area:625.498
Solvation:-4.06033
Coulombic:-68.534
Bond Count [?]
All:31
Single:25
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:401.499
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.72
LogP (Chemaxon):1.5

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Descriptor Annotations

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