Chemical ID: 3947257

CC1(C(=O)N(c2cc(ccc2O1)C(=O)NC3CCCCC3)CC(=O)Nc4ccccc4)C
Chemical ID:
3947257
Name [?]:
N-cyclohexyl-8,8-dimethyl-9-oxo-10-(phenylcarbamoylmethyl)-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-triene-3-carboxamide
SMILES [?]:
CC1(C(=O)N(c2cc(ccc2O1)C(=O)NC3CCCCC3)CC(=O)Nc4ccccc4)C
InChi [?]:
InChI=1/C25H29N3O4/c1-25(2)24(31)28(16-22(29)26-18-9-5-3-6-10-18)20-15-17(13-14-21(20)32-25)23(30)27-19-11-7-4-8-12-19/h3,5-6,9-10,13-15,19H,4,7-8,11-12,16H2,1-2H3,(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,32,29,19,28,30,18,20,27,31,17,21,9,10,7,22,8,26,16,6,11,23,13,3,2,25,15,5,24,14,4,12/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:32nCCCONCCCCCCOCONCCCCCCCCONCCCCCCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s8;d13;s13;s15;s16;s17;s18;s19;s16s20;s5;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H29N3O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.997
Area:659.176
Solvation:-4.48237
Coulombic:-68.8474
Bond Count [?]
All:35
Single:26
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:435.516
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.4
LogP (Chemaxon):2.9

Name Annotations

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Descriptor Annotations

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