Chemical ID: 6477426

C=CCNC(=S)NNC(=O)COc1cccc2c1cccc2
Chemical ID:
6477426
Name [?]:
1-allyl-3-[2-(1-naphthyloxy)acetyl]amino-thiourea
SMILES [?]:
C=CCNC(=S)NNC(=O)COc1cccc2c1cccc2
InChi [?]:
InChI=1/C16H17N3O2S/c1-2-10-17-16(22)19-18-15(20)11-21-14-9-5-7-12-6-3-4-8-13(12)14/h2-9H,1,10-11H2,(H,18,20)(H2,17,19,22)
InChi Info:
AuxInfo=1/1/N:1,2,21,20,15,22,16,19,14,3,11,17,18,13,9,5,4,8,7,10,12,6/rA:22nCCCNCSNNCOCOCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s5;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;d19;s20;s17d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N3O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.26932
Area:551.416
Solvation:-4.51608
Coulombic:-49.3553
Bond Count [?]
All:23
Single:15
Double:8
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:315.391
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.39
LogP (Chemaxon):2.54

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Descriptor Annotations

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