Chemical ID: 3927857

CC1(C(=O)N(c2cc(ccc2O1)C(=O)N3CCCC3)CC(=O)NCc4ccccc4)C
Chemical ID:
3927857
Name [?]:
N-benzyl-2-(8,8-dimethyl-9-oxo-3-pyrrolidin-1-ylcarbonyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide
SMILES [?]:
CC1(C(=O)N(c2cc(ccc2O1)C(=O)N3CCCC3)CC(=O)NCc4ccccc4)C
InChi [?]:
InChI=1/C24H27N3O4/c1-24(2)23(30)27(16-21(28)25-15-17-8-4-3-5-9-17)19-14-18(10-11-20(19)31-24)22(29)26-12-6-7-13-26/h3-5,8-11,14H,6-7,12-13,15-16H2,1-2H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,31,28,27,29,17,18,26,30,9,10,16,19,7,24,20,25,8,6,11,21,13,3,2,23,15,5,22,14,4,12/E:(1,2)(4,5)(6,7)(8,9)(12,13)/rA:31nCCCONCCCCCCOCONCCCCCCONCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s8;d13;s13;s15;s16;s17;s15s18;s5;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27N3O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.532
Area:643.448
Solvation:-4.55423
Coulombic:-64.6632
Bond Count [?]
All:34
Single:25
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:421.489
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:2.37
LogP (Chemaxon):1.51

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Descriptor Annotations

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