Chemical ID: 4643355

CCOC(=O)c1cnc2c3ccccc3ccc2c1NCc4ccccc4
Chemical ID:
4643355
Name [?]:
None
SMILES [?]:
CCOC(=O)c1cnc2c3ccccc3ccc2c1NCc4ccccc4
InChi [?]:
InChI=1/C23H20N2O2/c1-2-27-23(26)20-15-25-21-18-11-7-6-10-17(18)12-13-19(21)22(20)24-14-16-8-4-3-5-9-16/h3-13,15H,2,14H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,25,24,26,13,12,23,27,14,11,16,17,21,7,22,15,10,18,6,9,19,4,20,8,5,3/E:(4,5)(8,9)/rA:27nCCOCOCCNCCCCCCCCCCCNCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;d9s17;d6s18;s19;s20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H20N2O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.3442
Area:567.474
Solvation:-2.84269
Coulombic:-39.1128
Bond Count [?]
All:30
Single:19
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.417
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.53
LogP (Chemaxon):5.03

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Descriptor Annotations

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