기본 정보
- 표준 SMILES
Cc1nnc2n1-c1sc(I)cc1C(c1ccccc1Cl)=NC2- InChIKey
KJZJHABCRCESGN-UHFFFAOYSA-N- 분자식
- C15H10ClIN4S
- 평균 분자량
- 440.7 g/mol
이름 및 식별자
- 우선 이름
- 4-(2-chlorophenyl)-2-iodo-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
- IUPAC
- 7-(2-chlorophenyl)-4-iodo-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
이름 및 동의어
CHEMBL20359SCHEMBL9379295KJZJHABCRCESGN-UHFFFAOYSA-NBDBM500116284-(2-chlorophenyl)-2-iodo-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine4-(2-Chloro-phenyl)-2-iodo-9-methyl-6H-1-thia-5,7,8,9a-tetraaza-cyclopenta[e]azulene4-(2-chlorophenyl)2-iodo-9-methyl-6H-thieno[3,2-f][1,2,4]triazol[4,3-a][1,4]diazepine4-(2-chlorophenyl)-2-iodo-9-methyl -6H-thieno[3,2-f][1,2,4] triazolo[4,3-a][1,4]diazepine4-(2-chlorophenyl)-2-iodo-9-methyl 6H-thieno[ 3,2-f][1,2,4]triazolo[4,3-a] [1,4]diazepine4-(2-chlorophenyl)-2-iodo-9-methyl-6H thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine4-(2-chlorophenyl)-2-iodo-9-methyl-6H-thieno [3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine4-(2-chlorophenyl)-2-iodo-9-methyl-6H-thieno-[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
이름 더 보기
4-(2-chlorophenyl)-2-iodo-9-methyl-6H-thieno-[3,2-f][1,2,4]triazolo[4,3-a][4,1]diazepine4-(2-chlorophenyl)-2-iodo-9-methyl-6H-thieno[3,2-f][1,2,4] triazolo[4,3-a][1,4]diazepine
데이터베이스 식별자
- PubChem CID
- 14851924
- ChEMBL
CHEMBL20359- Nikkaji
- J380.470D
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 71.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 465
관련 반응
20건
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